4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one

C16H24N2O2 — CID 119304918

IUPAC4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c17-10-4-7-16(19)18-11-8-14(9-12-18)13-20-15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13,17H2
InChIKeyVDVJZRVEBFOGNU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds6

About 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one

4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one (PubChem CID 119304918) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
PubChem CID119304918
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c17-10-4-7-16(19)18-11-8-14(9-12-18)13-20-15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13,17H2
InChIKeyVDVJZRVEBFOGNU-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119304917
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
4-phenoxy-1-[3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 110638417
2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 111446341
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
CID 82688164
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one (CID 119304918) is 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one is NCCCC(=O)N1CCC(COc2ccccc2)CC1.
What is the InChIKey of 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one?
The InChIKey is VDVJZRVEBFOGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-10-4-7-16(19)18-11-8-14(9-12-18)13-20-15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13,17H2.
What are the key properties of 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one?
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119304918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).