3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol

C17H27NO2 — CID 62619330

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCN2CCCCC2CCO)cc1
InChIInChI=1S/C17H27NO2/c1-14-5-7-15(8-6-14)17(20)9-12-18-11-3-2-4-16(18)10-13-19/h5-8,16-17,19-20H,2-4,9-13H2,1H3
InChIKeyHAGHJRUAUOHIFP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.66
Rot. Bonds6

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol

3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol (PubChem CID 62619330) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
PubChem CID62619330
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCN2CCCCC2CCO)cc1
InChIInChI=1S/C17H27NO2/c1-14-5-7-15(8-6-14)17(20)9-12-18-11-3-2-4-16(18)10-13-19/h5-8,16-17,19-20H,2-4,9-13H2,1H3
InChIKeyHAGHJRUAUOHIFP-UHFFFAOYSA-N
XLogP2.66
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(2-methylphenyl)propan-1-ol
CID 62624367
1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 82135943
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 62645441
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 82215800
1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
CID 62619008
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82073504
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 110877404
1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
CID 62619666
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 82073755

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol (CID 62619330) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)CCN2CCCCC2CCO)cc1.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol?
The InChIKey is HAGHJRUAUOHIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-5-7-15(8-6-14)17(20)9-12-18-11-3-2-4-16(18)10-13-19/h5-8,16-17,19-20H,2-4,9-13H2,1H3.
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol?
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 62619330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).