1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol

C13H22N2O2 — CID 110929404

IUPAC1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2ccco2)CC1
InChIInChI=1S/C13H22N2O2/c16-12-4-8-15(9-5-12)7-2-6-14-11-13-3-1-10-17-13/h1,3,10,12,14,16H,2,4-9,11H2
InChIKeyXWCVKTIHZKKVRS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.22
Rot. Bonds6

About 1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol

1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol (PubChem CID 110929404) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
PubChem CID110929404
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2ccco2)CC1
InChIInChI=1S/C13H22N2O2/c16-12-4-8-15(9-5-12)7-2-6-14-11-13-3-1-10-17-13/h1,3,10,12,14,16H,2,4-9,11H2
InChIKeyXWCVKTIHZKKVRS-UHFFFAOYSA-N
XLogP1.22
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(furan-2-ylmethylamino)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-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
2-(4-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 62556363
1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
CID 110929359
1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
CID 110906462
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
CID 119111981
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43208035
1-[3-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]propyl]piperidin-4-ol
CID 111436549
2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63163129
1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
CID 111423520
1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol
CID 110906464

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol (CID 110929404) is 1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol is OC1CCN(CCCNCc2ccco2)CC1.
What is the InChIKey of 1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol?
The InChIKey is XWCVKTIHZKKVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-12-4-8-15(9-5-12)7-2-6-14-11-13-3-1-10-17-13/h1,3,10,12,14,16H,2,4-9,11H2.
What are the key properties of 1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol?
1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol has a molecular weight of 238.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol is sourced from PubChem (CID 110929404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).