1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol

C19H21ClFNO — CID 12733222

IUPAC1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol
SMILESOC1(Cc2ccc(Cl)cc2F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21ClFNO/c20-17-7-6-16(18(21)12-17)13-19(23)8-10-22(11-9-19)14-15-4-2-1-3-5-15/h1-7,12,23H,8-11,13-14H2
InChIKeyALRARTJCCDEWEW-UHFFFAOYSA-N
MW333.83 g/mol
LogP4.05
Rot. Bonds4

About 1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol

1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol (PubChem CID 12733222) has the molecular formula C19H21ClFNO and a molecular weight of 333.83 g/mol. Its IUPAC name is 1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol
PubChem CID12733222
Molecular FormulaC19H21ClFNO
Molecular Weight333.83 g/mol
Exact Mass333.13
IUPAC Name1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol
SMILESOC1(Cc2ccc(Cl)cc2F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21ClFNO/c20-17-7-6-16(18(21)12-17)13-19(23)8-10-22(11-9-19)14-15-4-2-1-3-5-15/h1-7,12,23H,8-11,13-14H2
InChIKeyALRARTJCCDEWEW-UHFFFAOYSA-N
XLogP4.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.83
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol (CID 12733222) is 1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol is OC1(Cc2ccc(Cl)cc2F)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol?
The InChIKey is ALRARTJCCDEWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO/c20-17-7-6-16(18(21)12-17)13-19(23)8-10-22(11-9-19)14-15-4-2-1-3-5-15/h1-7,12,23H,8-11,13-14H2.
What are the key properties of 1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol?
1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol has a molecular weight of 333.83 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 12733222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).