2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one

C24H33N3O — CID 166680155

IUPAC2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one
SMILESCCC(c1ccccc1)C(CN)C(=O)N1CCC(NC)(c2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-3-21(19-10-6-4-7-11-19)22(18-25)23(28)27-16-14-24(26-2,15-17-27)20-12-8-5-9-13-20/h4-13,21-22,26H,3,14-18,25H2,1-2H3
InChIKeyMHVGDRHTBWHXMG-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.49
Rot. Bonds7

About 2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one

2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one (PubChem CID 166680155) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one
PubChem CID166680155
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one
SMILESCCC(c1ccccc1)C(CN)C(=O)N1CCC(NC)(c2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-3-21(19-10-6-4-7-11-19)22(18-25)23(28)27-16-14-24(26-2,15-17-27)20-12-8-5-9-13-20/h4-13,21-22,26H,3,14-18,25H2,1-2H3
InChIKeyMHVGDRHTBWHXMG-UHFFFAOYSA-N
XLogP3.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one (CID 166680155) is 2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one is CCC(c1ccccc1)C(CN)C(=O)N1CCC(NC)(c2ccccc2)CC1.
What is the InChIKey of 2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one?
The InChIKey is MHVGDRHTBWHXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-3-21(19-10-6-4-7-11-19)22(18-25)23(28)27-16-14-24(26-2,15-17-27)20-12-8-5-9-13-20/h4-13,21-22,26H,3,14-18,25H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one?
2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one has a molecular weight of 379.55 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[4-(methylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one is sourced from PubChem (CID 166680155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).