4-(4-chlorophenyl)-3-methylpiperidin-4-ol

C12H16ClNO — CID 23137070

IUPAC4-(4-chlorophenyl)-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-9-8-14-7-6-12(9,15)10-2-4-11(13)5-3-10/h2-5,9,14-15H,6-8H2,1H3
InChIKeyNCPDIORJCOFBTD-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.16
Rot. Bonds1

About 4-(4-chlorophenyl)-3-methylpiperidin-4-ol

4-(4-chlorophenyl)-3-methylpiperidin-4-ol (PubChem CID 23137070) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-methylpiperidin-4-ol
PubChem CID23137070
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-(4-chlorophenyl)-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-9-8-14-7-6-12(9,15)10-2-4-11(13)5-3-10/h2-5,9,14-15H,6-8H2,1H3
InChIKeyNCPDIORJCOFBTD-UHFFFAOYSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-methylpiperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-3-methylpiperidin-4-ol (CID 23137070) is 4-(4-chlorophenyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-3-methylpiperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-3-methylpiperidin-4-ol is CC1CNCCC1(O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-methylpiperidin-4-ol?
The InChIKey is NCPDIORJCOFBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-8-14-7-6-12(9,15)10-2-4-11(13)5-3-10/h2-5,9,14-15H,6-8H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-methylpiperidin-4-ol?
4-(4-chlorophenyl)-3-methylpiperidin-4-ol has a molecular weight of 225.72 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 23137070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).