N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine

C20H26FN3O — CID 29086962

IUPACN-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2cccnc2Oc2ccccc2F)CC1
InChIInChI=1S/C20H26FN3O/c1-2-12-24-13-9-17(10-14-24)23-15-16-6-5-11-22-20(16)25-19-8-4-3-7-18(19)21/h3-8,11,17,23H,2,9-10,12-15H2,1H3
InChIKeyOXBQFTHWOVRQIB-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.98
Rot. Bonds7

About N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine

N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine (PubChem CID 29086962) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine
PubChem CID29086962
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC NameN-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2cccnc2Oc2ccccc2F)CC1
InChIInChI=1S/C20H26FN3O/c1-2-12-24-13-9-17(10-14-24)23-15-16-6-5-11-22-20(16)25-19-8-4-3-7-18(19)21/h3-8,11,17,23H,2,9-10,12-15H2,1H3
InChIKeyOXBQFTHWOVRQIB-UHFFFAOYSA-N
XLogP3.98
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine
CID 28718379
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 42518073
N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105388892
2-fluoro-3-[[(1-propylpiperidin-4-yl)amino]methyl]benzonitrile
CID 107114501
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 42198821
N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296410
3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 115923056
2-methyl-1-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111019441
N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine
CID 25299461
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine (CID 29086962) is N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine is CCCN1CCC(NCc2cccnc2Oc2ccccc2F)CC1.
What is the InChIKey of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine?
The InChIKey is OXBQFTHWOVRQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-2-12-24-13-9-17(10-14-24)23-15-16-6-5-11-22-20(16)25-19-8-4-3-7-18(19)21/h3-8,11,17,23H,2,9-10,12-15H2,1H3.
What are the key properties of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine?
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine has a molecular weight of 343.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 29086962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).