1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride

C19H32Cl2N2 — CID 171277961

IUPAC1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
SMILESCc1cc(C)c([C@H](C2CCCC2)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C19H30N2.2ClH/c1-14-12-15(2)18(16(3)13-14)19(17-6-4-5-7-17)21-10-8-20-9-11-21;;/h12-13,17,19-20H,4-11H2,1-3H3;2*1H/t19-;;/m0../s1
InChIKeyAANPMXNVUQMFIM-TXEPZDRESA-N
MW359.39 g/mol
LogP4.59
Rot. Bonds3

About 1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride

1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171277961) has the molecular formula C19H32Cl2N2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
PubChem CID171277961
Molecular FormulaC19H32Cl2N2
Molecular Weight359.39 g/mol
Exact Mass358.19
IUPAC Name1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
SMILESCc1cc(C)c([C@H](C2CCCC2)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C19H30N2.2ClH/c1-14-12-15(2)18(16(3)13-14)19(17-6-4-5-7-17)21-10-8-20-9-11-21;;/h12-13,17,19-20H,4-11H2,1-3H3;2*1H/t19-;;/m0../s1
InChIKeyAANPMXNVUQMFIM-TXEPZDRESA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-oxan-4-yl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277967
1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
CID 171277119
1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine
CID 171288154
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171283985
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
3,5-dimethyl-4-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272954
1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171293020
1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride
CID 171277972
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-fluoro-6-methylphenol;dihydrochloride
CID 171300893
1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine
CID 171280833

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride (CID 171277961) is 1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride is Cc1cc(C)c([C@H](C2CCCC2)N2CCNCC2)c(C)c1.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is AANPMXNVUQMFIM-TXEPZDRESA-N. The full InChI is InChI=1S/C19H30N2.2ClH/c1-14-12-15(2)18(16(3)13-14)19(17-6-4-5-7-17)21-10-8-20-9-11-21;;/h12-13,17,19-20H,4-11H2,1-3H3;2*1H/t19-;;/m0../s1.
What are the key properties of 1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 359.39 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171277961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).