4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine

C19H22FN — CID 12542633

IUPAC4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine
SMILESCN1CCC(c2ccccc2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN/c1-21-12-10-16(11-13-21)19-5-3-2-4-17(19)14-15-6-8-18(20)9-7-15/h2-9,16H,10-14H2,1H3
InChIKeyJEIVOSPRYOATJI-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.23
Rot. Bonds3

About 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine

4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine (PubChem CID 12542633) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine
PubChem CID12542633
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine
SMILESCN1CCC(c2ccccc2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN/c1-21-12-10-16(11-13-21)19-5-3-2-4-17(19)14-15-6-8-18(20)9-7-15/h2-9,16H,10-14H2,1H3
InChIKeyJEIVOSPRYOATJI-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine?
The IUPAC name of 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine (CID 12542633) is 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine is CN1CCC(c2ccccc2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine?
The InChIKey is JEIVOSPRYOATJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-21-12-10-16(11-13-21)19-5-3-2-4-17(19)14-15-6-8-18(20)9-7-15/h2-9,16H,10-14H2,1H3.
What are the key properties of 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine?
4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine has a molecular weight of 283.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-methylpiperidine is sourced from PubChem (CID 12542633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).