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

C17H27ClN2O2 — CID 119304911

IUPAC2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCC(COc2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-2-6-16(18)17(20)19-11-9-14(10-12-19)13-21-15-7-4-3-5-8-15;/h3-5,7-8,14,16H,2,6,9-13,18H2,1H3;1H
InChIKeySMBDDGIHFITCFY-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.85
Rot. Bonds6

About 2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride

2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride (PubChem CID 119304911) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride
PubChem CID119304911
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCC(COc2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-2-6-16(18)17(20)19-11-9-14(10-12-19)13-21-15-7-4-3-5-8-15;/h3-5,7-8,14,16H,2,6,9-13,18H2,1H3;1H
InChIKeySMBDDGIHFITCFY-UHFFFAOYSA-N
XLogP2.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
(2R)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796402
2-methyl-3-(methylamino)-1-[4-(phenoxymethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119751564
2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 120789992
[(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea
CID 124852461
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
CID 103830858
2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
CID 119316138
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
N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide
CID 167912458
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119304918

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride (CID 119304911) is 2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride is CCCC(N)C(=O)N1CCC(COc2ccccc2)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is SMBDDGIHFITCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-2-6-16(18)17(20)19-11-9-14(10-12-19)13-21-15-7-4-3-5-8-15;/h3-5,7-8,14,16H,2,6,9-13,18H2,1H3;1H.
What are the key properties of 2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride?
2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 119304911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).