[(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone

C17H23NO2 — CID 139093014

IUPAC[(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone
SMILESC[C@H](O)[C@@H]1[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-12(19)14-15(13-8-4-2-5-9-13)16(14)17(20)18-10-6-3-7-11-18/h2,4-5,8-9,12,14-16,19H,3,6-7,10-11H2,1H3/t12-,14-,15+,16+/m0/s1
InChIKeyPDMVGYGJXPCYOW-ARLBYUKCSA-N
MW273.38 g/mol
LogP2.41
Rot. Bonds3

About [(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone

[(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone (PubChem CID 139093014) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone
PubChem CID139093014
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone
SMILESC[C@H](O)[C@@H]1[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-12(19)14-15(13-8-4-2-5-9-13)16(14)17(20)18-10-6-3-7-11-18/h2,4-5,8-9,12,14-16,19H,3,6-7,10-11H2,1H3/t12-,14-,15+,16+/m0/s1
InChIKeyPDMVGYGJXPCYOW-ARLBYUKCSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one
CID 73294048
[(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone
CID 10687684
trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
CID 1150738
2-methyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608399
(2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 10399733
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 120760507
methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate
CID 646595
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
CID 131875139
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone?
The IUPAC name of [(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone (CID 139093014) is [(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone?
The canonical SMILES for [(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone is C[C@H](O)[C@@H]1[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccccc1.
What is the InChIKey of [(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone?
The InChIKey is PDMVGYGJXPCYOW-ARLBYUKCSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(19)14-15(13-8-4-2-5-9-13)16(14)17(20)18-10-6-3-7-11-18/h2,4-5,8-9,12,14-16,19H,3,6-7,10-11H2,1H3/t12-,14-,15+,16+/m0/s1.
What are the key properties of [(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone?
[(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone has a molecular weight of 273.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 139093014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).