1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine

C14H21ClN2S — CID 171276236

IUPAC1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine
SMILESClc1ccsc1[C@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C14H21ClN2S/c15-12-5-10-18-14(12)13(11-3-1-2-4-11)17-8-6-16-7-9-17/h5,10-11,13,16H,1-4,6-9H2/t13-/m0/s1
InChIKeyACEXZANQFVNPKQ-ZDUSSCGKSA-N
MW284.86 g/mol
LogP3.54
Rot. Bonds3

About 1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine

1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine (PubChem CID 171276236) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is 1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine
PubChem CID171276236
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine
SMILESClc1ccsc1[C@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C14H21ClN2S/c15-12-5-10-18-14(12)13(11-3-1-2-4-11)17-8-6-16-7-9-17/h5,10-11,13,16H,1-4,6-9H2/t13-/m0/s1
InChIKeyACEXZANQFVNPKQ-ZDUSSCGKSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine
CID 171288857
1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171276198
1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171276249
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine
CID 171277386
1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine
CID 171290187
1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473
1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine
CID 171280833
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine?
The IUPAC name of 1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine (CID 171276236) is 1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine is Clc1ccsc1[C@H](C1CCCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine?
The InChIKey is ACEXZANQFVNPKQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21ClN2S/c15-12-5-10-18-14(12)13(11-3-1-2-4-11)17-8-6-16-7-9-17/h5,10-11,13,16H,1-4,6-9H2/t13-/m0/s1.
What are the key properties of 1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine?
1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine has a molecular weight of 284.86 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine is sourced from PubChem (CID 171276236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).