1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol

C15H22ClNO2 — CID 102967577

IUPAC1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
SMILESCOC1CCCN(CCC(O)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClNO2/c1-19-14-6-3-8-17(11-14)9-7-15(18)12-4-2-5-13(16)10-12/h2,4-5,10,14-15,18H,3,6-9,11H2,1H3
InChIKeyZRUHTDUXVNNGSS-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.87
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol

1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol (PubChem CID 102967577) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
PubChem CID102967577
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
SMILESCOC1CCCN(CCC(O)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClNO2/c1-19-14-6-3-8-17(11-14)9-7-15(18)12-4-2-5-13(16)10-12/h2,4-5,10,14-15,18H,3,6-9,11H2,1H3
InChIKeyZRUHTDUXVNNGSS-UHFFFAOYSA-N
XLogP2.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967568
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol
CID 82685637
3-chloro-N-[2-(3-methoxypiperidin-1-yl)ethyl]aniline
CID 102968345
1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103538970
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-chlorophenyl)propan-1-ol
CID 102728352
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
1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102967425
1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967285
1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 55098461
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol (CID 102967577) is 1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol is COC1CCCN(CCC(O)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol?
The InChIKey is ZRUHTDUXVNNGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-19-14-6-3-8-17(11-14)9-7-15(18)12-4-2-5-13(16)10-12/h2,4-5,10,14-15,18H,3,6-9,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol?
1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 102967577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).