2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride

C18H29ClN2O — CID 119671917

IUPAC2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-3-11-18(2,19)17(21)20-12-9-16(10-13-20)14-15-7-5-4-6-8-15;/h4-8,16H,3,9-14,19H2,1-2H3;1H
InChIKeyNYAQGOQFYPARLD-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.41
Rot. Bonds5

About 2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride

2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride (PubChem CID 119671917) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride
PubChem CID119671917
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-3-11-18(2,19)17(21)20-12-9-16(10-13-20)14-15-7-5-4-6-8-15;/h4-8,16H,3,9-14,19H2,1-2H3;1H
InChIKeyNYAQGOQFYPARLD-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
CID 60847519
2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 60866270
1-(4-benzylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62833273
1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959874
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119671897
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721489
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide
CID 108962285
2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
CID 115739383
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119750510

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride (CID 119671917) is 2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride is CCCC(C)(N)C(=O)N1CCC(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride?
The InChIKey is NYAQGOQFYPARLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-3-11-18(2,19)17(21)20-12-9-16(10-13-20)14-15-7-5-4-6-8-15;/h4-8,16H,3,9-14,19H2,1-2H3;1H.
What are the key properties of 2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride?
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119671917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).