1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone

C14H19NO2 — CID 3296338

IUPAC1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C14H19NO2/c16-11-13-7-4-8-15(10-13)14(17)9-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2
InChIKeyDZSQVNHZZMYHFH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.46
Rot. Bonds3

About 1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone

1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 3296338) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
PubChem CID3296338
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C14H19NO2/c16-11-13-7-4-8-15(10-13)14(17)9-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2
InChIKeyDZSQVNHZZMYHFH-UHFFFAOYSA-N
XLogP1.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(2-phenylethylsulfanyl)ethanone
CID 43422150
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3298248
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
N-[4-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 43403590
2-(4-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403279
benzyl 4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 142526870
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 92633659
1-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 110246207

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone (CID 3296338) is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCCC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is DZSQVNHZZMYHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-11-13-7-4-8-15(10-13)14(17)9-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2.
What are the key properties of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone?
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 233.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 3296338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).