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

C12H17ClN2S — CID 171288857

IUPAC1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine
SMILESClc1ccsc1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C12H17ClN2S/c13-10-3-8-16-12(10)11(9-1-2-9)15-6-4-14-5-7-15/h3,8-9,11,14H,1-2,4-7H2/t11-/m1/s1
InChIKeyOFDJXGZDZXYQLU-LLVKDONJSA-N
MW256.80 g/mol
LogP2.76
Rot. Bonds3

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

1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine (PubChem CID 171288857) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine
PubChem CID171288857
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine
SMILESClc1ccsc1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C12H17ClN2S/c13-10-3-8-16-12(10)11(9-1-2-9)15-6-4-14-5-7-15/h3,8-9,11,14H,1-2,4-7H2/t11-/m1/s1
InChIKeyOFDJXGZDZXYQLU-LLVKDONJSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine
CID 171276236
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-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
CID 171288871
1-[(S)-cyclopropyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171275931
1-[(1R)-1-(3-chlorothiophen-2-yl)but-3-enyl]piperazine;dihydrochloride
CID 171288856
1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride
CID 171289222
1-[(R)-cyclopropyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine
CID 171290183
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171289649
1-[(S)-cyclopropyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine;dihydrochloride
CID 171277559
3,5-dichloro-2-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenol
CID 171296427

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine?
The IUPAC name of 1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine (CID 171288857) is 1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine is Clc1ccsc1[C@@H](C1CC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine?
The InChIKey is OFDJXGZDZXYQLU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17ClN2S/c13-10-3-8-16-12(10)11(9-1-2-9)15-6-4-14-5-7-15/h3,8-9,11,14H,1-2,4-7H2/t11-/m1/s1.
What are the key properties of 1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine?
1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine has a molecular weight of 256.80 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine is sourced from PubChem (CID 171288857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).