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

C27H32FN3O2 — CID 121413088

IUPACN-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine
SMILESCOc1cccc(C(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
InChIKeyUQJAJHCJZJWIMN-UHFFFAOYSA-N
MW449.57 g/mol
LogP4.70
Rot. Bonds10

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

N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine (PubChem CID 121413088) has the molecular formula C27H32FN3O2 and a molecular weight of 449.57 g/mol. Its IUPAC name is N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine
PubChem CID121413088
Molecular FormulaC27H32FN3O2
Molecular Weight449.57 g/mol
Exact Mass449.25
IUPAC NameN-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine
SMILESCOc1cccc(C(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
InChIKeyUQJAJHCJZJWIMN-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine (CID 121413088) is N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine is COc1cccc(C(NCC2CCN(CCOc3ccccc3F)CC2)c2ccccn2)c1.
What is the InChIKey of N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine?
The InChIKey is UQJAJHCJZJWIMN-UHFFFAOYSA-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.
What are the key properties of N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine?
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 N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 121413088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).