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

C16H25ClN2O2 — CID 119304917

IUPAC4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2.ClH/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;1H
InChIKeyQIYJZOUWXUILPQ-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.46
Rot. Bonds6

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

4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119304917) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119304917
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2.ClH/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;1H
InChIKeyQIYJZOUWXUILPQ-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.46
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
CID 119304918
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
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
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
2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119304911
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
CID 82688164

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride (CID 119304917) is 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride is Cl.NCCCC(=O)N1CCC(COc2ccccc2)CC1.
What is the InChIKey of 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is QIYJZOUWXUILPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/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;1H.
What are the key properties of 4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride?
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.46, 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;hydrochloride is sourced from PubChem (CID 119304917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).