(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol

C19H21ClFNO — CID 12733481

IUPAC(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol
SMILESCN1CCC(c2ccccc2F)(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClFNO/c1-22-12-10-19(11-13-22,16-4-2-3-5-17(16)21)18(23)14-6-8-15(20)9-7-14/h2-9,18,23H,10-13H2,1H3
InChIKeyOKNMDOZXVSWGFE-UHFFFAOYSA-N
MW333.83 g/mol
LogP4.18
Rot. Bonds3

About (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol

(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol (PubChem CID 12733481) has the molecular formula C19H21ClFNO and a molecular weight of 333.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol
PubChem CID12733481
Molecular FormulaC19H21ClFNO
Molecular Weight333.83 g/mol
Exact Mass333.13
IUPAC Name(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol
SMILESCN1CCC(c2ccccc2F)(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClFNO/c1-22-12-10-19(11-13-22,16-4-2-3-5-17(16)21)18(23)14-6-8-15(20)9-7-14/h2-9,18,23H,10-13H2,1H3
InChIKeyOKNMDOZXVSWGFE-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol (CID 12733481) is (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol is CN1CCC(c2ccccc2F)(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol?
The InChIKey is OKNMDOZXVSWGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO/c1-22-12-10-19(11-13-22,16-4-2-3-5-17(16)21)18(23)14-6-8-15(20)9-7-14/h2-9,18,23H,10-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol?
(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol has a molecular weight of 333.83 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 12733481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).