1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one

C15H21NO3 — CID 43428067

IUPAC1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1CCCC(O)C1
InChIInChI=1S/C15H21NO3/c1-12(19-11-13-6-3-2-4-7-13)15(18)16-9-5-8-14(17)10-16/h2-4,6-7,12,14,17H,5,8-11H2,1H3
InChIKeyOBRKBCUWNWLJGY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.58
Rot. Bonds4

About 1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one

1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one (PubChem CID 43428067) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
PubChem CID43428067
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1CCCC(O)C1
InChIInChI=1S/C15H21NO3/c1-12(19-11-13-6-3-2-4-7-13)15(18)16-9-5-8-14(17)10-16/h2-4,6-7,12,14,17H,5,8-11H2,1H3
InChIKeyOBRKBCUWNWLJGY-UHFFFAOYSA-N
XLogP1.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43427969
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14373623
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
3-hydroxy-N-phenylmethoxypiperidine-1-carboxamide
CID 110933496
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one
CID 81208321
2-[1-(2-phenylmethoxypropanoyl)pyrrolidin-2-yl]acetic acid
CID 61372049
benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate
CID 166391197
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one
CID 166260053
(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide
CID 94194356
1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one
CID 110895902

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one (CID 43428067) is 1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one is CC(OCc1ccccc1)C(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one?
The InChIKey is OBRKBCUWNWLJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(19-11-13-6-3-2-4-7-13)15(18)16-9-5-8-14(17)10-16/h2-4,6-7,12,14,17H,5,8-11H2,1H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one?
1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one has a molecular weight of 263.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one is sourced from PubChem (CID 43428067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).