2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone

C15H21NO3 — CID 111539102

IUPAC2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
SMILESCC(O)C1CCN(C(=O)C(O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-11(17)12-7-9-16(10-8-12)15(19)14(18)13-5-3-2-4-6-13/h2-6,11-12,14,17-18H,7-10H2,1H3
InChIKeyGZIIJRCKLKNSKF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.34
Rot. Bonds3

About 2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone

2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 111539102) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
PubChem CID111539102
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
SMILESCC(O)C1CCN(C(=O)C(O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-11(17)12-7-9-16(10-8-12)15(19)14(18)13-5-3-2-4-6-13/h2-6,11-12,14,17-18H,7-10H2,1H3
InChIKeyGZIIJRCKLKNSKF-UHFFFAOYSA-N
XLogP1.34
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110023282
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
1-(3-aminopyrrolidin-1-yl)-2-hydroxy-2-phenylethanone
CID 62068275
1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone
CID 115302102
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279
2-hydroxy-1-[7-(2-methylphenyl)-1,4-thiazepan-4-yl]-2-phenylethanone
CID 90631305
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone (CID 111539102) is 2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone is CC(O)C1CCN(C(=O)C(O)c2ccccc2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is GZIIJRCKLKNSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(17)12-7-9-16(10-8-12)15(19)14(18)13-5-3-2-4-6-13/h2-6,11-12,14,17-18H,7-10H2,1H3.
What are the key properties of 2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone?
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 263.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 111539102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).