1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine

C116H231N15 — CID 158819497

IUPAC1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine
SMILESCC(C)(C)CCN1CC(CCN2CCCCC2)C1.CC(C)(C)CCN1CCC(CC2CCCCC2)CC1.CC(C)(C)N1CCN(CC2CCCCC2)CC1.CCCN1CCN(CC2CCCCC2)CC1.CCCN1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H35N.C16H32N2.C15H30N2.2C14H28N2.3C13H26N2/c1-18(2,3)11-14-19-12-9-17(10-13-19)15-16-7-5-4-6-8-16;1-16(2,3)8-12-18-13-15(14-18)7-11-17-9-5-4-6-10-17;1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14;2*1-2-8-15-9-11-16(12-10-15)13-14-6-4-3-5-7-14;3*1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13/h16-17H,4-15H2,1-3H3;15H,4-14H2,1-3H3;14H,4-13H2,1-3H3;2*14H,2-13H2,1H3;3*13H,2-12H2,1H3
InChIKeyIVRNPVVZOJDPSO-UHFFFAOYSA-N
MW1836.23 g/mol
LogP23.12
Rot. Bonds28

About 1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine

1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine (PubChem CID 158819497) has the molecular formula C116H231N15 and a molecular weight of 1836.23 g/mol. Its IUPAC name is 1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine
PubChem CID158819497
Molecular FormulaC116H231N15
Molecular Weight1836.23 g/mol
Exact Mass1834.85
IUPAC Name1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine
SMILESCC(C)(C)CCN1CC(CCN2CCCCC2)C1.CC(C)(C)CCN1CCC(CC2CCCCC2)CC1.CC(C)(C)N1CCN(CC2CCCCC2)CC1.CCCN1CCN(CC2CCCCC2)CC1.CCCN1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H35N.C16H32N2.C15H30N2.2C14H28N2.3C13H26N2/c1-18(2,3)11-14-19-12-9-17(10-13-19)15-16-7-5-4-6-8-16;1-16(2,3)8-12-18-13-15(14-18)7-11-17-9-5-4-6-10-17;1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14;2*1-2-8-15-9-11-16(12-10-15)13-14-6-4-3-5-7-14;3*1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13/h16-17H,4-15H2,1-3H3;15H,4-14H2,1-3H3;14H,4-13H2,1-3H3;2*14H,2-13H2,1H3;3*13H,2-12H2,1H3
InChIKeyIVRNPVVZOJDPSO-UHFFFAOYSA-N
XLogP23.12
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001836.23
LogP ≤ 523.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Related Compounds

1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane
CID 157217147
N,N,N',N'-tetracyclohexylbutane-1,4-diamine;N,N,N',N'-tetracyclohexyldecane-1,10-diamine;N,N,N',N'-tetracyclohexyldodecane-1,12-diamine;N,N,N',N'-tetracyclohexylethane-1,2-diamine;N,N,N',N'-tetracyclohexylhexane-1,6-diamine;2,2,6,6-tetramethyl-1-[4-(2,2,6,6-tetramethylpiperidin-1-yl)butyl]piperidine;2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]piperidine
CID 157577184
4-(Cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane
CID 159159825
N,N,N',N'-tetracyclohexylbutane-1,4-diamine;N,N,N',N'-tetracyclohexyldecane-1,10-diamine;N,N,N',N'-tetracyclohexyldodecane-1,12-diamine;N,N,N',N'-tetracyclohexylhexane-1,6-diamine;2,2,6,6-tetramethyl-1-[4-(2,2,6,6-tetramethylpiperidin-1-yl)butyl]piperidine;2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]piperidine;2,2,6,6-tetramethyl-1-[6-(2,2,6,6-tetramethylpiperidin-1-yl)hexyl]piperidine
CID 159249600
3-Butyl-1-methylpiperidin-3-ide;4,4-di(ethyl)-1-methylpiperidine;1,9-dimethyl-1-azaspiro[5.5]undecane;2,9-dimethyl-2-azaspiro[5.5]undecane;3,9-dimethyl-3-azaspiro[5.5]undecane;3,10-dimethyl-3-azaspiro[5.5]undecane;2-methanidyl-1-methyl-2-propylpiperidine;4-methanidyl-1-methyl-4-propylpiperidine;tetrakis(yttrium)
CID 160212707
1-Tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine
CID 160247041
1-Tert-butyl-4-(4-propan-2-ylcyclohexyl)piperazine;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1-methyl-4-(4-propan-2-ylcyclohexyl)piperazine;1-(2-methylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine;4-propan-2-ylcyclohexan-1-amine;1-(4-propan-2-ylcyclohexyl)piperazine;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 163751170
Bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane
CID 165094112
1-Propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
1-Tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine
CID 167581814
1-Tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine
CID 167623282
1-Propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167625943

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine?
The IUPAC name of 1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine (CID 158819497) is 1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine is CC(C)(C)CCN1CC(CCN2CCCCC2)C1.CC(C)(C)CCN1CCC(CC2CCCCC2)CC1.CC(C)(C)N1CCN(CC2CCCCC2)CC1.CCCN1CCN(CC2CCCCC2)CC1.CCCN1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine?
The InChIKey is IVRNPVVZOJDPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N.C16H32N2.C15H30N2.2C14H28N2.3C13H26N2/c1-18(2,3)11-14-19-12-9-17(10-13-19)15-16-7-5-4-6-8-16;1-16(2,3)8-12-18-13-15(14-18)7-11-17-9-5-4-6-10-17;1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14;2*1-2-8-15-9-11-16(12-10-15)13-14-6-4-3-5-7-14;3*1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13/h16-17H,4-15H2,1-3H3;15H,4-14H2,1-3H3;14H,4-13H2,1-3H3;2*14H,2-13H2,1H3;3*13H,2-12H2,1H3.
What are the key properties of 1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine?
1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine has a molecular weight of 1836.23 g/mol, XLogP of 23.12, 28 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine is sourced from PubChem (CID 158819497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).