1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride

C17H27ClN2O — CID 119517891

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
SMILESCC(N)C1CCN(C(=O)C(C)(C)c2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(18)14-9-11-19(12-10-14)16(20)17(2,3)15-7-5-4-6-8-15;/h4-8,13-14H,9-12,18H2,1-3H3;1H
InChIKeyQWJZKXRBIIJJPI-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.97
Rot. Bonds3

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride (PubChem CID 119517891) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
PubChem CID119517891
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
SMILESCC(N)C1CCN(C(=O)C(C)(C)c2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(18)14-9-11-19(12-10-14)16(20)17(2,3)15-7-5-4-6-8-15;/h4-8,13-14H,9-12,18H2,1-3H3;1H
InChIKeyQWJZKXRBIIJJPI-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-(2-methylphenyl)propan-1-one
CID 119519268
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
1-(4-amino-3-methylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119592342
(2R)-1-[4-(1-aminoethyl)piperidin-1-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
CID 54416153
1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 114509918
1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 63753817
N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 42949633
2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080668
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 119593580
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110346395
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride (CID 119517891) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride is CC(N)C1CCN(C(=O)C(C)(C)c2ccccc2)CC1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride?
The InChIKey is QWJZKXRBIIJJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-13(18)14-9-11-19(12-10-14)16(20)17(2,3)15-7-5-4-6-8-15;/h4-8,13-14H,9-12,18H2,1-3H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119517891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).