tert-Butyl 4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine-1-carboxylate - CAS 1228780-71-9

Name: tert-Butyl 4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine-1-carboxylate
Brand: BOC Sciences
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Catalog:	BB043570
Product Name:	tert-Butyl 4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine-1-carboxylate
CAS:	1228780-71-9
Synonyms:	1-Piperazinecarboxylicacid, 4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, 1,1-dimethylethylester; tert-Butyl 4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine-1-carboxylate; tert-Butyl 4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazine-1-carboxylate

Technical Data

Computed Properties

IUPAC Name:	tert-butyl 4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine-1-carboxylate
Description:	tert-Butyl 4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine-1-carboxylate (CAS# 1228780-71-9 ) is a useful research chemical.
Molecular Weight:	419.00
Molecular Formula:	C24H35ClN2O2
Canonical SMILES:	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C(=O)OC(C)(C)C)C
InChI:	InChI=1S/C24H35ClN2O2/c1-23(2,3)29-22(28)27-14-12-26(13-15-27)17-19-10-11-24(4,5)16-21(19)18-6-8-20(25)9-7-18/h6-9H,10-17H2,1-5H3
InChI Key:	ZGQXNVGCEUEJOC-UHFFFAOYSA-N

Complexity:	607
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	418.2387061
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	418.2387061
Rotatable Bond Count:	5
Topological Polar Surface Area:	32.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5

tert-Butyl 4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine-1-carboxylate - CAS 1228780-71-9

Technical Data

Computed Properties

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