[1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride

C21H28Cl2N2O — CID 10111280

IUPAC[1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride
SMILESCl.Cl.NC(CCN1CCC(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O.2ClH/c22-20(17-7-3-1-4-8-17)13-16-23-14-11-19(12-15-23)21(24)18-9-5-2-6-10-18;;/h1-10,19-20H,11-16,22H2;2*1H
InChIKeySTIPRWIZSSIJAA-UHFFFAOYSA-N
MW395.37 g/mol
LogP4.51
Rot. Bonds6

About [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride

[1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride (PubChem CID 10111280) has the molecular formula C21H28Cl2N2O and a molecular weight of 395.37 g/mol. Its IUPAC name is [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride.

Molecular Properties

Compound Name[1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride
PubChem CID10111280
Molecular FormulaC21H28Cl2N2O
Molecular Weight395.37 g/mol
Exact Mass394.16
IUPAC Name[1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride
SMILESCl.Cl.NC(CCN1CCC(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O.2ClH/c22-20(17-7-3-1-4-8-17)13-16-23-14-11-19(12-15-23)21(24)18-9-5-2-6-10-18;;/h1-10,19-20H,11-16,22H2;2*1H
InChIKeySTIPRWIZSSIJAA-UHFFFAOYSA-N
XLogP4.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride?
The IUPAC name of [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride (CID 10111280) is [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride.
What is the SMILES notation for [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride?
The canonical SMILES for [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride is Cl.Cl.NC(CCN1CCC(C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride?
The InChIKey is STIPRWIZSSIJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.2ClH/c22-20(17-7-3-1-4-8-17)13-16-23-14-11-19(12-15-23)21(24)18-9-5-2-6-10-18;;/h1-10,19-20H,11-16,22H2;2*1H.
What are the key properties of [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride?
[1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride has a molecular weight of 395.37 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone;dihydrochloride is sourced from PubChem (CID 10111280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).