1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone

C16H23NO2 — CID 63846895

IUPAC1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC(C)(O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(18)15-10-6-7-11-17(15)12-16(2,19)14-8-4-3-5-9-14/h3-5,8-9,15,19H,6-7,10-12H2,1-2H3
InChIKeySJOMGRZGTCMIKT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.34
Rot. Bonds4

About 1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone

1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone (PubChem CID 63846895) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone
PubChem CID63846895
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC(C)(O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(18)15-10-6-7-11-17(15)12-16(2,19)14-8-4-3-5-9-14/h3-5,8-9,15,19H,6-7,10-12H2,1-2H3
InChIKeySJOMGRZGTCMIKT-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid
CID 62373379
1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone
CID 63844987
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-phenylpropan-2-ol
CID 114338665
1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide
CID 111335036
1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 55068472
1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone
CID 63846016
2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63848691
methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79624509
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol
CID 113285351
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
CID 79917568
1-(2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 62373973
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone (CID 63846895) is 1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1CC(C)(O)c1ccccc1.
What is the InChIKey of 1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone?
The InChIKey is SJOMGRZGTCMIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(18)15-10-6-7-11-17(15)12-16(2,19)14-8-4-3-5-9-14/h3-5,8-9,15,19H,6-7,10-12H2,1-2H3.
What are the key properties of 1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone?
1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 63846895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).