1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine

C12H19ClN2S — CID 171288871

IUPAC1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
SMILESCCC[C@H](c1sccc1Cl)N1CCNCC1
InChIInChI=1S/C12H19ClN2S/c1-2-3-11(12-10(13)4-9-16-12)15-7-5-14-6-8-15/h4,9,11,14H,2-3,5-8H2,1H3/t11-/m1/s1
InChIKeyWSXAXHVNUKIPEL-LLVKDONJSA-N
MW258.82 g/mol
LogP3.15
Rot. Bonds4

About 1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine

1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine (PubChem CID 171288871) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
PubChem CID171288871
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
SMILESCCC[C@H](c1sccc1Cl)N1CCNCC1
InChIInChI=1S/C12H19ClN2S/c1-2-3-11(12-10(13)4-9-16-12)15-7-5-14-6-8-15/h4,9,11,14H,2-3,5-8H2,1H3/t11-/m1/s1
InChIKeyWSXAXHVNUKIPEL-LLVKDONJSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(3-chlorothiophen-2-yl)but-3-enyl]piperazine;dihydrochloride
CID 171288856
1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171276249
1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
CID 171308967
1-[(1S)-1-(4-iodophenyl)butyl]piperazine
CID 171276051
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189
1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine
CID 171288857
1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
CID 171281865
2-chloro-4-[(1S)-1-piperazin-1-ylbutyl]phenol
CID 171275716
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289236
1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine
CID 171276236
1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171289658
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
CID 171168852

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine (CID 171288871) is 1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine is CCC[C@H](c1sccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine?
The InChIKey is WSXAXHVNUKIPEL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-2-3-11(12-10(13)4-9-16-12)15-7-5-14-6-8-15/h4,9,11,14H,2-3,5-8H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine?
1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine has a molecular weight of 258.82 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine is sourced from PubChem (CID 171288871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).