1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine

C19H30N2 — CID 171277119

IUPAC1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
SMILESCc1cccc(C)c1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C19H30N2/c1-15-7-6-8-16(2)18(15)19(17-9-4-3-5-10-17)21-13-11-20-12-14-21/h6-8,17,19-20H,3-5,9-14H2,1-2H3/t19-/m0/s1
InChIKeyUETKJFFDEHYGGG-IBGZPJMESA-N
MW286.46 g/mol
LogP3.83
Rot. Bonds3

About 1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine

1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine (PubChem CID 171277119) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
PubChem CID171277119
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
SMILESCc1cccc(C)c1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C19H30N2/c1-15-7-6-8-16(2)18(15)19(17-9-4-3-5-10-17)21-13-11-20-12-14-21/h6-8,17,19-20H,3-5,9-14H2,1-2H3/t19-/m0/s1
InChIKeyUETKJFFDEHYGGG-IBGZPJMESA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine
CID 171280833
1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine
CID 171293453
1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171275812
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277961
6-amino-2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-3-methylphenol
CID 171298055
1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171293020
1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171166678
1-[(R)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171171848
1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine
CID 171179290
1-[(S)-(2-chloro-6-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171163179
1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine
CID 171280796

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine (CID 171277119) is 1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine is Cc1cccc(C)c1[C@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine?
The InChIKey is UETKJFFDEHYGGG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30N2/c1-15-7-6-8-16(2)18(15)19(17-9-4-3-5-10-17)21-13-11-20-12-14-21/h6-8,17,19-20H,3-5,9-14H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine?
1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 171277119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).