4-(4-chlorophenyl)-1-ethylpiperidin-4-ol

C13H18ClNO — CID 60895332

IUPAC4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClNO/c1-2-15-9-7-13(16,8-10-15)11-3-5-12(14)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKeyYBFKGVVEXIIRAC-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.64
Rot. Bonds2

About 4-(4-chlorophenyl)-1-ethylpiperidin-4-ol

4-(4-chlorophenyl)-1-ethylpiperidin-4-ol (PubChem CID 60895332) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
PubChem CID60895332
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClNO/c1-2-15-9-7-13(16,8-10-15)11-3-5-12(14)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKeyYBFKGVVEXIIRAC-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-ethylpiperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-ethylpiperidin-4-ol (CID 60895332) is 4-(4-chlorophenyl)-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-ethylpiperidin-4-ol is CCN1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-ethylpiperidin-4-ol?
The InChIKey is YBFKGVVEXIIRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-2-15-9-7-13(16,8-10-15)11-3-5-12(14)6-4-11/h3-6,16H,2,7-10H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-ethylpiperidin-4-ol?
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol has a molecular weight of 239.75 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-ethylpiperidin-4-ol is sourced from PubChem (CID 60895332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).