1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol

C16H24ClNO3 — CID 82685637

IUPAC1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol
SMILESOCCOC1CCN(CCC(O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClNO3/c17-14-3-1-2-13(12-14)16(20)6-9-18-7-4-15(5-8-18)21-11-10-19/h1-3,12,15-16,19-20H,4-11H2
InChIKeyLPLGKWZLIVEYEW-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.24
Rot. Bonds7

About 1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol

1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol (PubChem CID 82685637) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol
PubChem CID82685637
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol
SMILESOCCOC1CCN(CCC(O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClNO3/c17-14-3-1-2-13(12-14)16(20)6-9-18-7-4-15(5-8-18)21-11-10-19/h1-3,12,15-16,19-20H,4-11H2
InChIKeyLPLGKWZLIVEYEW-UHFFFAOYSA-N
XLogP2.24
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967577
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
CID 102789664
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 81213880
2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 114858092
2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol
CID 82685405
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-chlorophenyl)propan-1-ol
CID 102728352
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol
CID 55098468
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol (CID 82685637) is 1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol is OCCOC1CCN(CCC(O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol?
The InChIKey is LPLGKWZLIVEYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c17-14-3-1-2-13(12-14)16(20)6-9-18-7-4-15(5-8-18)21-11-10-19/h1-3,12,15-16,19-20H,4-11H2.
What are the key properties of 1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol?
1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol has a molecular weight of 313.82 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 82685637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).