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

C17H27NO3 — CID 110877404

IUPAC1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CN2CCCCC2CCO)cc1
InChIInChI=1S/C17H27NO3/c1-14-5-7-17(8-6-14)21-13-16(20)12-18-10-3-2-4-15(18)9-11-19/h5-8,15-16,19-20H,2-4,9-13H2,1H3
InChIKeyAHQYNPGWGQQWCY-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.97
Rot. Bonds7

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

1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 110877404) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
PubChem CID110877404
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CN2CCCCC2CCO)cc1
InChIInChI=1S/C17H27NO3/c1-14-5-7-17(8-6-14)21-13-16(20)12-18-10-3-2-4-15(18)9-11-19/h5-8,15-16,19-20H,2-4,9-13H2,1H3
InChIKeyAHQYNPGWGQQWCY-UHFFFAOYSA-N
XLogP1.97
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenoxy)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 111114259
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride
CID 21236718
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol;hydrochloride
CID 44782330
(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 95357883
1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 110877407
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
1-(4-tert-butylphenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
CID 110921385
1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
CID 110921512
1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 110882119
1-[2-(2-methylpropyl)piperidin-1-yl]-3-(4-methylsulfonylphenoxy)propan-2-ol
CID 164906220
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 100841531
(2S)-1-(4-bromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 1308324

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol (CID 110877404) is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CN2CCCCC2CCO)cc1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is AHQYNPGWGQQWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-14-5-7-17(8-6-14)21-13-16(20)12-18-10-3-2-4-15(18)9-11-19/h5-8,15-16,19-20H,2-4,9-13H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 110877404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).