3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol

C15H23NO2 — CID 138473450

IUPAC3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
SMILESCCC[C@H]1CCC[C@@H](C(O)c2cccc(O)c2)N1
InChIInChI=1S/C15H23NO2/c1-2-5-12-7-4-9-14(16-12)15(18)11-6-3-8-13(17)10-11/h3,6,8,10,12,14-18H,2,4-5,7,9H2,1H3/t12-,14-,15?/m0/s1
InChIKeyIDXUZFLWFSRFJC-XRJCJLGXSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds4

About 3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol

3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol (PubChem CID 138473450) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
PubChem CID138473450
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
SMILESCCC[C@H]1CCC[C@@H](C(O)c2cccc(O)c2)N1
InChIInChI=1S/C15H23NO2/c1-2-5-12-7-4-9-14(16-12)15(18)11-6-3-8-13(17)10-11/h3,6,8,10,12,14-18H,2,4-5,7,9H2,1H3/t12-,14-,15?/m0/s1
InChIKeyIDXUZFLWFSRFJC-XRJCJLGXSA-N
XLogP2.74
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol 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

acetic acid;3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473437
(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 138473406
(3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol
CID 138481027
[3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenyl] acetate
CID 138473439
(R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol
CID 138481036
(R)-(4-fluorophenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol
CID 138473465
(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
CID 170314593
(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 138473395
(4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 155074654
(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
CID 138473458
(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 150322644
3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
CID 83484257

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol?
The IUPAC name of 3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol (CID 138473450) is 3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol.
What is the SMILES notation for 3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol?
The canonical SMILES for 3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol is CCC[C@H]1CCC[C@@H](C(O)c2cccc(O)c2)N1.
What is the InChIKey of 3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol?
The InChIKey is IDXUZFLWFSRFJC-XRJCJLGXSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-5-12-7-4-9-14(16-12)15(18)11-6-3-8-13(17)10-11/h3,6,8,10,12,14-18H,2,4-5,7,9H2,1H3/t12-,14-,15?/m0/s1.
What are the key properties of 3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol?
3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol is sourced from PubChem (CID 138473450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).