[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone

C14H17ClN2O — CID 124695333

IUPAC[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
SMILESO=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C14H17ClN2O/c15-13-4-2-1-3-10(13)11-9-12(11)14(18)17-7-5-16-6-8-17/h1-4,11-12,16H,5-9H2/t11-,12+/m0/s1
InChIKeyUADWVUWJMPVHRG-NWDGAFQWSA-N
MW264.76 g/mol
LogP1.88
Rot. Bonds2

About [(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone

[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone (PubChem CID 124695333) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is [(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
PubChem CID124695333
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
SMILESO=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C14H17ClN2O/c15-13-4-2-1-3-10(13)11-9-12(11)14(18)17-7-5-16-6-8-17/h1-4,11-12,16H,5-9H2/t11-,12+/m0/s1
InChIKeyUADWVUWJMPVHRG-NWDGAFQWSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997781
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698455
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 51292018
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
1,4-diazepan-1-yl-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119417577
[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone
CID 55550947
[2-(2-chlorophenyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51291684
1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 124702859
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072
[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55660699

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone?
The IUPAC name of [(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone (CID 124695333) is [(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone?
The canonical SMILES for [(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone is O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCNCC1.
What is the InChIKey of [(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone?
The InChIKey is UADWVUWJMPVHRG-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-13-4-2-1-3-10(13)11-9-12(11)14(18)17-7-5-16-6-8-17/h1-4,11-12,16H,5-9H2/t11-,12+/m0/s1.
What are the key properties of [(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone?
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone has a molecular weight of 264.76 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 124695333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).