(1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine

C27H32FN3O2 — CID 121413082

IUPAC(1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine
SMILESCOc1cccc([C@H](NCC2CCN(CCOc3ccccc3F)CC2)c2ccccn2)c1
InChIInChI=1S/C27H32FN3O2/c1-32-23-8-6-7-22(19-23)27(25-10-4-5-14-29-25)30-20-21-12-15-31(16-13-21)17-18-33-26-11-3-2-9-24(26)28/h2-11,14,19,21,27,30H,12-13,15-18,20H2,1H3/t27-/m0/s1
InChIKeyUQJAJHCJZJWIMN-MHZLTWQESA-N
MW449.57 g/mol
LogP4.70
Rot. Bonds10

About (1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine

(1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine (PubChem CID 121413082) has the molecular formula C27H32FN3O2 and a molecular weight of 449.57 g/mol. Its IUPAC name is (1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name(1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine
PubChem CID121413082
Molecular FormulaC27H32FN3O2
Molecular Weight449.57 g/mol
Exact Mass449.25
IUPAC Name(1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine
SMILESCOc1cccc([C@H](NCC2CCN(CCOc3ccccc3F)CC2)c2ccccn2)c1
InChIInChI=1S/C27H32FN3O2/c1-32-23-8-6-7-22(19-23)27(25-10-4-5-14-29-25)30-20-21-12-15-31(16-13-21)17-18-33-26-11-3-2-9-24(26)28/h2-11,14,19,21,27,30H,12-13,15-18,20H2,1H3/t27-/m0/s1
InChIKeyUQJAJHCJZJWIMN-MHZLTWQESA-N
XLogP4.70
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine?
The IUPAC name of (1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine (CID 121413082) is (1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine.
What is the SMILES notation for (1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine?
The canonical SMILES for (1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine is COc1cccc([C@H](NCC2CCN(CCOc3ccccc3F)CC2)c2ccccn2)c1.
What is the InChIKey of (1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine?
The InChIKey is UQJAJHCJZJWIMN-MHZLTWQESA-N. The full InChI is InChI=1S/C27H32FN3O2/c1-32-23-8-6-7-22(19-23)27(25-10-4-5-14-29-25)30-20-21-12-15-31(16-13-21)17-18-33-26-11-3-2-9-24(26)28/h2-11,14,19,21,27,30H,12-13,15-18,20H2,1H3/t27-/m0/s1.
What are the key properties of (1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine?
(1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine has a molecular weight of 449.57 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 121413082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).