1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride

C19H32Cl2N2 — CID 171275812

IUPAC1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride
SMILESCc1cccc([C@H](C2CCCCC2)N2CCNCC2)c1C.Cl.Cl
InChIInChI=1S/C19H30N2.2ClH/c1-15-7-6-10-18(16(15)2)19(17-8-4-3-5-9-17)21-13-11-20-12-14-21;;/h6-7,10,17,19-20H,3-5,8-9,11-14H2,1-2H3;2*1H/t19-;;/m0../s1
InChIKeyBYHHDWSHMXNYPD-TXEPZDRESA-N
MW359.39 g/mol
LogP4.67
Rot. Bonds3

About 1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride

1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171275812) has the molecular formula C19H32Cl2N2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride
PubChem CID171275812
Molecular FormulaC19H32Cl2N2
Molecular Weight359.39 g/mol
Exact Mass358.19
IUPAC Name1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride
SMILESCc1cccc([C@H](C2CCCCC2)N2CCNCC2)c1C.Cl.Cl
InChIInChI=1S/C19H30N2.2ClH/c1-15-7-6-10-18(16(15)2)19(17-8-4-3-5-9-17)21-13-11-20-12-14-21;;/h6-7,10,17,19-20H,3-5,8-9,11-14H2,1-2H3;2*1H/t19-;;/m0../s1
InChIKeyBYHHDWSHMXNYPD-TXEPZDRESA-N
XLogP4.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
CID 171277119
1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine
CID 171276795
1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171283985
1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171289324
2-bromo-6-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol
CID 171275973
1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine
CID 171280833
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171168242
1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
CID 171175923
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride (CID 171275812) is 1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride is Cc1cccc([C@H](C2CCCCC2)N2CCNCC2)c1C.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is BYHHDWSHMXNYPD-TXEPZDRESA-N. The full InChI is InChI=1S/C19H30N2.2ClH/c1-15-7-6-10-18(16(15)2)19(17-8-4-3-5-9-17)21-13-11-20-12-14-21;;/h6-7,10,17,19-20H,3-5,8-9,11-14H2,1-2H3;2*1H/t19-;;/m0../s1.
What are the key properties of 1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 359.39 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171275812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).