4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride

C17H27ClN2O — CID 120558672

IUPAC4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-14(18)7-8-17(20)19-11-9-16(10-12-19)13-15-5-3-2-4-6-15;/h2-6,14,16H,7-13,18H2,1H3;1H
InChIKeyBDKKCIVUOCGOFJ-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.02
Rot. Bonds5

About 4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride

4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride (PubChem CID 120558672) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
PubChem CID120558672
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-14(18)7-8-17(20)19-11-9-16(10-12-19)13-15-5-3-2-4-6-15;/h2-6,14,16H,7-13,18H2,1H3;1H
InChIKeyBDKKCIVUOCGOFJ-UHFFFAOYSA-N
XLogP3.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one
CID 58723486
4-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 120562065
(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one
CID 72839247
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
CID 120563140
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118967
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119671897
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
ethyl (2S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 97260919

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride (CID 120558672) is 4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride is CC(N)CCC(=O)N1CCC(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride?
The InChIKey is BDKKCIVUOCGOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-14(18)7-8-17(20)19-11-9-16(10-12-19)13-15-5-3-2-4-6-15;/h2-6,14,16H,7-13,18H2,1H3;1H.
What are the key properties of 4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride?
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 120558672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).