3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol

C15H24N2O2 — CID 70767220

IUPAC3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol
SMILESOc1ccc(CCCNCC2(O)CCCNC2)cc1
InChIInChI=1S/C15H24N2O2/c18-14-6-4-13(5-7-14)3-1-9-16-11-15(19)8-2-10-17-12-15/h4-7,16-19H,1-3,8-12H2
InChIKeyXYDCEEYYWJUCOE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.03
Rot. Bonds6

About 3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol

3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol (PubChem CID 70767220) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol
PubChem CID70767220
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol
SMILESOc1ccc(CCCNCC2(O)CCCNC2)cc1
InChIInChI=1S/C15H24N2O2/c18-14-6-4-13(5-7-14)3-1-9-16-11-15(19)8-2-10-17-12-15/h4-7,16-19H,1-3,8-12H2
InChIKeyXYDCEEYYWJUCOE-UHFFFAOYSA-N
XLogP1.03
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-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-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride
CID 154893874
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
6-[(3-pyridin-4-ylpropylamino)methyl]-1,4-oxazepan-6-ol;dihydrochloride
CID 154897014
4-[2-(1-hydroxycyclobutyl)ethyl]phenol
CID 59527196
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol
CID 82038711
3-[(4-fluoroanilino)methyl]piperidin-3-ol
CID 105482018
1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111103971
(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol
CID 95893861
3-[(4-methylphenyl)methyl]piperidin-3-ol
CID 63588493
4-[(3-fluoropiperidin-3-yl)methyl]phenol
CID 112562864
4-[(3-hydroxypiperidin-3-yl)methyl]benzaldehyde
CID 105474116

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol?
The IUPAC name of 3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol (CID 70767220) is 3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol.
What is the SMILES notation for 3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol?
The canonical SMILES for 3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol is Oc1ccc(CCCNCC2(O)CCCNC2)cc1.
What is the InChIKey of 3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol?
The InChIKey is XYDCEEYYWJUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c18-14-6-4-13(5-7-14)3-1-9-16-11-15(19)8-2-10-17-12-15/h4-7,16-19H,1-3,8-12H2.
What are the key properties of 3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol?
3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol has a molecular weight of 264.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol is sourced from PubChem (CID 70767220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).