4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol

C12H15ClFNO — CID 114502007

IUPAC4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO/c1-8-7-15-5-4-12(8,16)10-3-2-9(13)6-11(10)14/h2-3,6,8,15-16H,4-5,7H2,1H3
InChIKeyLBMXAQIDNCYEAL-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.30
Rot. Bonds1

About 4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol

4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol (PubChem CID 114502007) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol
PubChem CID114502007
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO/c1-8-7-15-5-4-12(8,16)10-3-2-9(13)6-11(10)14/h2-3,6,8,15-16H,4-5,7H2,1H3
InChIKeyLBMXAQIDNCYEAL-UHFFFAOYSA-N
XLogP2.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol (CID 114502007) is 4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol is CC1CNCCC1(O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol?
The InChIKey is LBMXAQIDNCYEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-8-7-15-5-4-12(8,16)10-3-2-9(13)6-11(10)14/h2-3,6,8,15-16H,4-5,7H2,1H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol?
4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol has a molecular weight of 243.71 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114502007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).