2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine

C20H23ClFN — CID 18621625

IUPAC2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine
SMILESCC(c1ccccc1F)N1CCCCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClFN/c1-15(19-7-2-3-8-20(19)22)23-13-5-4-6-18(23)14-16-9-11-17(21)12-10-16/h2-3,7-12,15,18H,4-6,13-14H2,1H3
InChIKeyAHHNYKXVSKXYCN-UHFFFAOYSA-N
MW331.86 g/mol
LogP5.64
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine

2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine (PubChem CID 18621625) has the molecular formula C20H23ClFN and a molecular weight of 331.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine
PubChem CID18621625
Molecular FormulaC20H23ClFN
Molecular Weight331.86 g/mol
Exact Mass331.15
IUPAC Name2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine
SMILESCC(c1ccccc1F)N1CCCCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClFN/c1-15(19-7-2-3-8-20(19)22)23-13-5-4-6-18(23)14-16-9-11-17(21)12-10-16/h2-3,7-12,15,18H,4-6,13-14H2,1H3
InChIKeyAHHNYKXVSKXYCN-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.86
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine (CID 18621625) is 2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine is CC(c1ccccc1F)N1CCCCC1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine?
The InChIKey is AHHNYKXVSKXYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN/c1-15(19-7-2-3-8-20(19)22)23-13-5-4-6-18(23)14-16-9-11-17(21)12-10-16/h2-3,7-12,15,18H,4-6,13-14H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine?
2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine has a molecular weight of 331.86 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-[1-(2-fluorophenyl)ethyl]piperidine is sourced from PubChem (CID 18621625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).