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

C21H26N2O — CID 10111281

IUPAC[1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone
SMILESNC(CCN1CCC(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O/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
InChIKeyPXONFTAVQLDEIB-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.67
Rot. Bonds6

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

[1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone (PubChem CID 10111281) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone
PubChem CID10111281
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name[1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone
SMILESNC(CCN1CCC(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O/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
InChIKeyPXONFTAVQLDEIB-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.67
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?
The IUPAC name of [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone (CID 10111281) is [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone is NC(CCN1CCC(C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is PXONFTAVQLDEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/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.
What are the key properties of [1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone?
[1-(3-amino-3-phenylpropyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 322.45 g/mol, XLogP of 3.67, 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 is sourced from PubChem (CID 10111281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).