2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol

C15H23NO2 — CID 117377386

IUPAC2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
SMILESCC(CO)c1cccc(OC2CCN(C)CC2)c1
InChIInChI=1S/C15H23NO2/c1-12(11-17)13-4-3-5-15(10-13)18-14-6-8-16(2)9-7-14/h3-5,10,12,14,17H,6-9,11H2,1-2H3
InChIKeyFTBNLZSKPNZCPR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.26
Rot. Bonds4

About 2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol

2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol (PubChem CID 117377386) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
PubChem CID117377386
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
SMILESCC(CO)c1cccc(OC2CCN(C)CC2)c1
InChIInChI=1S/C15H23NO2/c1-12(11-17)13-4-3-5-15(10-13)18-14-6-8-16(2)9-7-14/h3-5,10,12,14,17H,6-9,11H2,1-2H3
InChIKeyFTBNLZSKPNZCPR-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117446398
2-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117444550
3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
CID 117045727
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
3-(3-cyclobutyloxyphenyl)butan-1-amine
CID 117313284
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
CID 117448321
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117438913
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
CID 117405750
(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 78955112

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol?
The IUPAC name of 2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol (CID 117377386) is 2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol.
What is the SMILES notation for 2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol?
The canonical SMILES for 2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol is CC(CO)c1cccc(OC2CCN(C)CC2)c1.
What is the InChIKey of 2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol?
The InChIKey is FTBNLZSKPNZCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(11-17)13-4-3-5-15(10-13)18-14-6-8-16(2)9-7-14/h3-5,10,12,14,17H,6-9,11H2,1-2H3.
What are the key properties of 2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol?
2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol is sourced from PubChem (CID 117377386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).