1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol

C15H23NO2 — CID 115005736

IUPAC1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol
SMILESCC(O)Cc1cccc(OC2CCCN(C)C2)c1
InChIInChI=1S/C15H23NO2/c1-12(17)9-13-5-3-6-14(10-13)18-15-7-4-8-16(2)11-15/h3,5-6,10,12,15,17H,4,7-9,11H2,1-2H3
InChIKeyHPTPFZFKIXZFNX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.08
Rot. Bonds4

About 1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol

1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol (PubChem CID 115005736) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol
PubChem CID115005736
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol
SMILESCC(O)Cc1cccc(OC2CCCN(C)C2)c1
InChIInChI=1S/C15H23NO2/c1-12(17)9-13-5-3-6-14(10-13)18-15-7-4-8-16(2)11-15/h3,5-6,10,12,15,17H,4,7-9,11H2,1-2H3
InChIKeyHPTPFZFKIXZFNX-UHFFFAOYSA-N
XLogP2.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine
CID 137435425
2-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117444550
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
3,3-dimethyl-1-[3-(1-methylpyrrolidin-3-yl)oxyphenyl]butan-2-one;hydrochloride
CID 159432081
1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile
CID 69045352
N-[(3-cyclopentyloxyphenyl)methyl]-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 84591482
3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride
CID 57497626
1-(4-cyclobutyloxyphenyl)propan-2-ol
CID 117295049
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
1-benzyl-3-(3-propan-2-ylphenoxy)piperidine
CID 59734568

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol?
The IUPAC name of 1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol (CID 115005736) is 1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol.
What is the SMILES notation for 1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol?
The canonical SMILES for 1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol is CC(O)Cc1cccc(OC2CCCN(C)C2)c1.
What is the InChIKey of 1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol?
The InChIKey is HPTPFZFKIXZFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(17)9-13-5-3-6-14(10-13)18-15-7-4-8-16(2)11-15/h3,5-6,10,12,15,17H,4,7-9,11H2,1-2H3.
What are the key properties of 1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol?
1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol is sourced from PubChem (CID 115005736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).