2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine

C24H31N3 — CID 118292377

IUPAC2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine
SMILESc1ccc(C2CC2NCC2CN(C3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H31N3/c1-3-7-20(8-4-1)23-15-24(23)25-16-19-17-27(18-19)22-11-13-26(14-12-22)21-9-5-2-6-10-21/h1-10,19,22-25H,11-18H2
InChIKeyXOABJLMYTOAXDU-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.73
Rot. Bonds6

About 2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine

2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine (PubChem CID 118292377) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine
PubChem CID118292377
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC Name2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine
SMILESc1ccc(C2CC2NCC2CN(C3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H31N3/c1-3-7-20(8-4-1)23-15-24(23)25-16-19-17-27(18-19)22-11-13-26(14-12-22)21-9-5-2-6-10-21/h1-10,19,22-25H,11-18H2
InChIKeyXOABJLMYTOAXDU-UHFFFAOYSA-N
XLogP3.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine?
The IUPAC name of 2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine (CID 118292377) is 2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine?
The canonical SMILES for 2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine is c1ccc(C2CC2NCC2CN(C3CCN(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of 2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine?
The InChIKey is XOABJLMYTOAXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-3-7-20(8-4-1)23-15-24(23)25-16-19-17-27(18-19)22-11-13-26(14-12-22)21-9-5-2-6-10-21/h1-10,19,22-25H,11-18H2.
What are the key properties of 2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine?
2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine has a molecular weight of 361.53 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 118292377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).