1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride

C15H26Cl2N2S — CID 171288298

IUPAC1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
SMILESCc1ccc([C@@H](C2CCCC2)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C15H24N2S.2ClH/c1-12-6-7-14(18-12)15(13-4-2-3-5-13)17-10-8-16-9-11-17;;/h6-7,13,15-16H,2-5,8-11H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyMJOWQDKREFZWDC-QCUBGVIVSA-N
MW337.36 g/mol
LogP4.04
Rot. Bonds3

About 1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride

1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride (PubChem CID 171288298) has the molecular formula C15H26Cl2N2S and a molecular weight of 337.36 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
PubChem CID171288298
Molecular FormulaC15H26Cl2N2S
Molecular Weight337.36 g/mol
Exact Mass336.12
IUPAC Name1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
SMILESCc1ccc([C@@H](C2CCCC2)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C15H24N2S.2ClH/c1-12-6-7-14(18-12)15(13-4-2-3-5-13)17-10-8-16-9-11-17;;/h6-7,13,15-16H,2-5,8-11H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyMJOWQDKREFZWDC-QCUBGVIVSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171275666
1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
CID 171281355
1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine
CID 82308445
1-[(1S)-2,2-difluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171275661
1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171283722
1-[(1S)-2-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171275662
1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
CID 171277119
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277961
1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171283985
1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine
CID 171288154
1-[(R)-cyclohexyl(furan-2-yl)methyl]piperazine;dihydrochloride
CID 171294118

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride (CID 171288298) is 1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride is Cc1ccc([C@@H](C2CCCC2)N2CCNCC2)s1.Cl.Cl.
What is the InChIKey of 1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride?
The InChIKey is MJOWQDKREFZWDC-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H24N2S.2ClH/c1-12-6-7-14(18-12)15(13-4-2-3-5-13)17-10-8-16-9-11-17;;/h6-7,13,15-16H,2-5,8-11H2,1H3;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride has a molecular weight of 337.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171288298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).