3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol

C15H23NO2 — CID 111423473

IUPAC3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol
SMILESCc1ccc(OC2CCN(CCCO)CC2)cc1
InChIInChI=1S/C15H23NO2/c1-13-3-5-14(6-4-13)18-15-7-10-16(11-8-15)9-2-12-17/h3-6,15,17H,2,7-12H2,1H3
InChIKeyLSSBWRTYHLKAOC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.22
Rot. Bonds5

About 3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol

3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol (PubChem CID 111423473) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol
PubChem CID111423473
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol
SMILESCc1ccc(OC2CCN(CCCO)CC2)cc1
InChIInChI=1S/C15H23NO2/c1-13-3-5-14(6-4-13)18-15-7-10-16(11-8-15)9-2-12-17/h3-6,15,17H,2,7-12H2,1H3
InChIKeyLSSBWRTYHLKAOC-UHFFFAOYSA-N
XLogP2.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-fluorophenoxy)piperidin-1-yl]propan-1-ol
CID 111381858
N,N-dimethyl-2-[4-(4-methylphenoxy)piperidin-1-yl]acetamide
CID 167150972
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
(2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol
CID 124621263
4-(4-phenoxypiperidin-1-yl)butanoic acid
CID 119134907
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
3-[1-(4-hydroxybutyl)piperidin-4-yl]oxybenzonitrile
CID 111102144
2-methyl-5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 118794125
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane
CID 176937832
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol
CID 82012443

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol (CID 111423473) is 3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol is Cc1ccc(OC2CCN(CCCO)CC2)cc1.
What is the InChIKey of 3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol?
The InChIKey is LSSBWRTYHLKAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13-3-5-14(6-4-13)18-15-7-10-16(11-8-15)9-2-12-17/h3-6,15,17H,2,7-12H2,1H3.
What are the key properties of 3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol?
3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 111423473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).