4-(2-chloro-4-piperidin-1-ylphenyl)phenol

C17H18ClNO — CID 152999471

IUPAC4-(2-chloro-4-piperidin-1-ylphenyl)phenol
SMILESOc1ccc(-c2ccc(N3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C17H18ClNO/c18-17-12-14(19-10-2-1-3-11-19)6-9-16(17)13-4-7-15(20)8-5-13/h4-9,12,20H,1-3,10-11H2
InChIKeyUXWMRKDXRQOZQH-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.70
Rot. Bonds2

About 4-(2-chloro-4-piperidin-1-ylphenyl)phenol

4-(2-chloro-4-piperidin-1-ylphenyl)phenol (PubChem CID 152999471) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-(2-chloro-4-piperidin-1-ylphenyl)phenol.

Molecular Properties

Compound Name4-(2-chloro-4-piperidin-1-ylphenyl)phenol
PubChem CID152999471
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name4-(2-chloro-4-piperidin-1-ylphenyl)phenol
SMILESOc1ccc(-c2ccc(N3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C17H18ClNO/c18-17-12-14(19-10-2-1-3-11-19)6-9-16(17)13-4-7-15(20)8-5-13/h4-9,12,20H,1-3,10-11H2
InChIKeyUXWMRKDXRQOZQH-UHFFFAOYSA-N
XLogP4.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-piperidin-1-ylphenyl)phenol?
The IUPAC name of 4-(2-chloro-4-piperidin-1-ylphenyl)phenol (CID 152999471) is 4-(2-chloro-4-piperidin-1-ylphenyl)phenol.
What is the SMILES notation for 4-(2-chloro-4-piperidin-1-ylphenyl)phenol?
The canonical SMILES for 4-(2-chloro-4-piperidin-1-ylphenyl)phenol is Oc1ccc(-c2ccc(N3CCCCC3)cc2Cl)cc1.
What is the InChIKey of 4-(2-chloro-4-piperidin-1-ylphenyl)phenol?
The InChIKey is UXWMRKDXRQOZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-17-12-14(19-10-2-1-3-11-19)6-9-16(17)13-4-7-15(20)8-5-13/h4-9,12,20H,1-3,10-11H2.
What are the key properties of 4-(2-chloro-4-piperidin-1-ylphenyl)phenol?
4-(2-chloro-4-piperidin-1-ylphenyl)phenol has a molecular weight of 287.79 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-piperidin-1-ylphenyl)phenol is sourced from PubChem (CID 152999471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).