1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride

C21H27ClN2O — CID 119519475

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-16(22)17-12-14-23(15-13-17)21(24)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,16-17,20H,12-15,22H2,1H3;1H
InChIKeyPTPMCJQKANAYRM-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.83
Rot. Bonds4

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride (PubChem CID 119519475) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
PubChem CID119519475
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-16(22)17-12-14-23(15-13-17)21(24)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,16-17,20H,12-15,22H2,1H3;1H
InChIKeyPTPMCJQKANAYRM-UHFFFAOYSA-N
XLogP3.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119517891
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
CID 119520449
1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
1-(2,2-diphenylacetyl)-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide
CID 74824215
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride (CID 119519475) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride is CC(N)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride?
The InChIKey is PTPMCJQKANAYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.ClH/c1-16(22)17-12-14-23(15-13-17)21(24)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,16-17,20H,12-15,22H2,1H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 3.83, 4 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]-2,2-diphenylethanone;hydrochloride is sourced from PubChem (CID 119519475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).