1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride

C17H27ClN2O — CID 119378254

IUPAC1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride
SMILESCC(C)C(Cc1ccccc1)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(2)16(11-14-7-4-3-5-8-14)17(20)19-10-6-9-15(18)12-19;/h3-5,7-8,13,15-16H,6,9-12,18H2,1-2H3;1H
InChIKeyGUUVXIXOGPADLC-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.87
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride

1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride (PubChem CID 119378254) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride
PubChem CID119378254
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride
SMILESCC(C)C(Cc1ccccc1)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(2)16(11-14-7-4-3-5-8-14)17(20)19-10-6-9-15(18)12-19;/h3-5,7-8,13,15-16H,6,9-12,18H2,1-2H3;1H
InChIKeyGUUVXIXOGPADLC-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-benzyl-3-methylbutan-1-one
CID 119484206
2-benzyl-3-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119539357
1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride
CID 119379995
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
(2S)-1-[(3S)-3-aminopiperidin-1-yl]-2-methyl-3-phenylsulfanylpropan-1-one
CID 124594002
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 110355924
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 119409765
2-amino-1-[3-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 77143590
(2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone
CID 124593206
(2R)-1-[(3R)-3-aminopiperidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 124593410
1-(3-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119380726
1-(3-aminopiperidin-1-yl)-4-(3-fluorophenyl)-2-methylbutan-1-one
CID 119377577

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride (CID 119378254) is 1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride is CC(C)C(Cc1ccccc1)C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride?
The InChIKey is GUUVXIXOGPADLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-13(2)16(11-14-7-4-3-5-8-14)17(20)19-10-6-9-15(18)12-19;/h3-5,7-8,13,15-16H,6,9-12,18H2,1-2H3;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride?
1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 119378254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).