N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine

C31H38N2O — CID 155690024

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine
SMILESCOc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCCCC2)cc1
InChIInChI=1S/C31H38N2O/c1-26(27-16-18-30(34-2)19-17-27)33(25-24-32-21-10-5-11-22-32)23-20-31(28-12-6-3-7-13-28)29-14-8-4-9-15-29/h3-4,6-9,12-20,26H,5,10-11,21-25H2,1-2H3/t26-/m1/s1
InChIKeyIVFRWKAKQIHBEK-AREMUKBSSA-N
MW454.66 g/mol
LogP6.68
Rot. Bonds10

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine

N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine (PubChem CID 155690024) has the molecular formula C31H38N2O and a molecular weight of 454.66 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine
PubChem CID155690024
Molecular FormulaC31H38N2O
Molecular Weight454.66 g/mol
Exact Mass454.30
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine
SMILESCOc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCCCC2)cc1
InChIInChI=1S/C31H38N2O/c1-26(27-16-18-30(34-2)19-17-27)33(25-24-32-21-10-5-11-22-32)23-20-31(28-12-6-3-7-13-28)29-14-8-4-9-15-29/h3-4,6-9,12-20,26H,5,10-11,21-25H2,1-2H3/t26-/m1/s1
InChIKeyIVFRWKAKQIHBEK-AREMUKBSSA-N
XLogP6.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine (CID 155690024) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine is COc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCCCC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine?
The InChIKey is IVFRWKAKQIHBEK-AREMUKBSSA-N. The full InChI is InChI=1S/C31H38N2O/c1-26(27-16-18-30(34-2)19-17-27)33(25-24-32-21-10-5-11-22-32)23-20-31(28-12-6-3-7-13-28)29-14-8-4-9-15-29/h3-4,6-9,12-20,26H,5,10-11,21-25H2,1-2H3/t26-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine has a molecular weight of 454.66 g/mol, XLogP of 6.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 155690024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).