3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one

C15H22N2O2 — CID 102560007

IUPAC3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c16-9-8-15(18)17-10-4-5-13(11-17)12-19-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12,16H2
InChIKeyYVPBJACJVKTACD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.65
Rot. Bonds5

About 3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one

3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 102560007) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID102560007
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c16-9-8-15(18)17-10-4-5-13(11-17)12-19-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12,16H2
InChIKeyYVPBJACJVKTACD-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenoxy-1-[3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 110638417
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]butan-1-one
CID 110638727
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119304918
2-(4-ethoxyphenyl)-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 110638412
3-phenyl-1-[(3S)-3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097651
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119304917
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
3-[(3S)-1-(3-phenoxypropanoyl)piperidin-3-yl]propanoic acid
CID 124700081

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one (CID 102560007) is 3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one is NCCC(=O)N1CCCC(COc2ccccc2)C1.
What is the InChIKey of 3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is YVPBJACJVKTACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-9-8-15(18)17-10-4-5-13(11-17)12-19-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12,16H2.
What are the key properties of 3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one?
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 102560007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).