1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol

C21H25ClFNO — CID 13322478

IUPAC1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol
SMILESCC(C(O)c1ccc(Cl)cc1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25ClFNO/c1-15(21(25)18-4-6-19(22)7-5-18)24-12-10-17(11-13-24)14-16-2-8-20(23)9-3-16/h2-9,15,17,21,25H,10-14H2,1H3
InChIKeyLZLYDVIQEQDFKA-UHFFFAOYSA-N
MW361.89 g/mol
LogP4.86
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol

1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol (PubChem CID 13322478) has the molecular formula C21H25ClFNO and a molecular weight of 361.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol
PubChem CID13322478
Molecular FormulaC21H25ClFNO
Molecular Weight361.89 g/mol
Exact Mass361.16
IUPAC Name1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol
SMILESCC(C(O)c1ccc(Cl)cc1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25ClFNO/c1-15(21(25)18-4-6-19(22)7-5-18)24-12-10-17(11-13-24)14-16-2-8-20(23)9-3-16/h2-9,15,17,21,25H,10-14H2,1H3
InChIKeyLZLYDVIQEQDFKA-UHFFFAOYSA-N
XLogP4.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol (CID 13322478) is 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol is CC(C(O)c1ccc(Cl)cc1)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol?
The InChIKey is LZLYDVIQEQDFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFNO/c1-15(21(25)18-4-6-19(22)7-5-18)24-12-10-17(11-13-24)14-16-2-8-20(23)9-3-16/h2-9,15,17,21,25H,10-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol?
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol has a molecular weight of 361.89 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 13322478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).