1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride

C17H25ClF2N2 — CID 171166678

IUPAC1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
SMILESCc1ccc(F)c([C@H](C2CCCC2)N2CCNCC2)c1F.Cl
InChIInChI=1S/C17H24F2N2.ClH/c1-12-6-7-14(18)15(16(12)19)17(13-4-2-3-5-13)21-10-8-20-9-11-21;/h6-7,13,17,20H,2-5,8-11H2,1H3;1H/t17-;/m0./s1
InChIKeyMXPQJVALTKOYES-LMOVPXPDSA-N
MW330.85 g/mol
LogP3.83
Rot. Bonds3

About 1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride

1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride (PubChem CID 171166678) has the molecular formula C17H25ClF2N2 and a molecular weight of 330.85 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
PubChem CID171166678
Molecular FormulaC17H25ClF2N2
Molecular Weight330.85 g/mol
Exact Mass330.17
IUPAC Name1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
SMILESCc1ccc(F)c([C@H](C2CCCC2)N2CCNCC2)c1F.Cl
InChIInChI=1S/C17H24F2N2.ClH/c1-12-6-7-14(18)15(16(12)19)17(13-4-2-3-5-13)21-10-8-20-9-11-21;/h6-7,13,17,20H,2-5,8-11H2,1H3;1H/t17-;/m0./s1
InChIKeyMXPQJVALTKOYES-LMOVPXPDSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.85
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171171848
1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171293020
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-fluoro-6-methylphenol;dihydrochloride
CID 171300893
1-[(S)-cyclohexyl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164678
1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171170017
1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine
CID 171171851
1-[(S)-(3-bromo-2,6-difluorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171277699
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-3-fluoro-6-methylphenol
CID 171298409
1-[(S)-cyclopentyl-(2,6-difluoro-3-methoxyphenyl)methyl]piperazine
CID 171167774
1-[(S)-cyclopropyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171277670
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171176993
1-[(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171176169

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride (CID 171166678) is 1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride is Cc1ccc(F)c([C@H](C2CCCC2)N2CCNCC2)c1F.Cl.
What is the InChIKey of 1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride?
The InChIKey is MXPQJVALTKOYES-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H24F2N2.ClH/c1-12-6-7-14(18)15(16(12)19)17(13-4-2-3-5-13)21-10-8-20-9-11-21;/h6-7,13,17,20H,2-5,8-11H2,1H3;1H/t17-;/m0./s1.
What are the key properties of 1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride?
1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride has a molecular weight of 330.85 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)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171166678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).