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

C16H25NO2 — CID 106836517

IUPAC1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N1CCC(C(C)O)CC1
InChIInChI=1S/C16H25NO2/c1-3-16(19)14-6-4-5-7-15(14)17-10-8-13(9-11-17)12(2)18/h4-7,12-13,16,18-19H,3,8-11H2,1-2H3
InChIKeyAJHAEVQBNLLUFP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.73
Rot. Bonds4

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

1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol (PubChem CID 106836517) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
PubChem CID106836517
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N1CCC(C(C)O)CC1
InChIInChI=1S/C16H25NO2/c1-3-16(19)14-6-4-5-7-15(14)17-10-8-13(9-11-17)12(2)18/h4-7,12-13,16,18-19H,3,8-11H2,1-2H3
InChIKeyAJHAEVQBNLLUFP-UHFFFAOYSA-N
XLogP2.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 113359067
(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
CID 103959777
1-[1-[2-[1-(ethylamino)propyl]phenyl]piperidin-4-yl]ethanol
CID 106836305
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol
CID 115996046
1-[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]ethanol
CID 106836301
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
CID 103959921
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103959883

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol (CID 106836517) is 1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol is CCC(O)c1ccccc1N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol?
The InChIKey is AJHAEVQBNLLUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-16(19)14-6-4-5-7-15(14)17-10-8-13(9-11-17)12(2)18/h4-7,12-13,16,18-19H,3,8-11H2,1-2H3.
What are the key properties of 1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol?
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol is sourced from PubChem (CID 106836517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).