[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone

C14H18N2O — CID 51893718

IUPAC[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
SMILESO=C([C@H]1C[C@@H]1c1ccccc1)N1CCNCC1
InChIInChI=1S/C14H18N2O/c17-14(16-8-6-15-7-9-16)13-10-12(13)11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2/t12-,13+/m1/s1
InChIKeyWHBRACGDXAWFBY-OLZOCXBDSA-N
MW230.31 g/mol
LogP1.22
Rot. Bonds2

About [(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone

[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone (PubChem CID 51893718) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
PubChem CID51893718
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
SMILESO=C([C@H]1C[C@@H]1c1ccccc1)N1CCNCC1
InChIInChI=1S/C14H18N2O/c17-14(16-8-6-15-7-9-16)13-10-12(13)11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2/t12-,13+/m1/s1
InChIKeyWHBRACGDXAWFBY-OLZOCXBDSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 51893754
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
[2-(3-chlorophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 119415861
(2-methylpiperazin-1-yl)-(2-phenylcyclopropyl)methanone
CID 81478367
[2-(3-bromophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119418098
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698455
1,4-diazepan-1-yl-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119417577
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-piperazin-1-ylmethanone
CID 119403427
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
(4-benzhydrylpiperazin-4-ium-1-yl)-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 6962398

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone?
The IUPAC name of [(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone (CID 51893718) is [(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone?
The canonical SMILES for [(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone is O=C([C@H]1C[C@@H]1c1ccccc1)N1CCNCC1.
What is the InChIKey of [(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone?
The InChIKey is WHBRACGDXAWFBY-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(16-8-6-15-7-9-16)13-10-12(13)11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2/t12-,13+/m1/s1.
What are the key properties of [(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone?
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone has a molecular weight of 230.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 51893718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).