1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol

C21H29N3O2 — CID 119111975

IUPAC1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2ccccc2OCc2cccnc2)CC1
InChIInChI=1S/C21H29N3O2/c25-20-8-13-24(14-9-20)12-4-11-23-16-19-6-1-2-7-21(19)26-17-18-5-3-10-22-15-18/h1-3,5-7,10,15,20,23,25H,4,8-9,11-14,16-17H2
InChIKeyODOIYHUZMYWDPD-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.60
Rot. Bonds9

About 1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol

1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol (PubChem CID 119111975) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
PubChem CID119111975
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2ccccc2OCc2cccnc2)CC1
InChIInChI=1S/C21H29N3O2/c25-20-8-13-24(14-9-20)12-4-11-23-16-19-6-1-2-7-21(19)26-17-18-5-3-10-22-15-18/h1-3,5-7,10,15,20,23,25H,4,8-9,11-14,16-17H2
InChIKeyODOIYHUZMYWDPD-UHFFFAOYSA-N
XLogP2.60
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol 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

3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110929258
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 119111242
1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 119125973
1-[(2R)-1-methylpyrrolidin-2-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 124684778
1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 71977852
1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 47631270
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120963153
2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119111201
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289404
1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol
CID 111478246

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol (CID 119111975) is 1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol is OC1CCN(CCCNCc2ccccc2OCc2cccnc2)CC1.
What is the InChIKey of 1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol?
The InChIKey is ODOIYHUZMYWDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20-8-13-24(14-9-20)12-4-11-23-16-19-6-1-2-7-21(19)26-17-18-5-3-10-22-15-18/h1-3,5-7,10,15,20,23,25H,4,8-9,11-14,16-17H2.
What are the key properties of 1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol?
1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol has a molecular weight of 355.48 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 119111975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).