4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine

C19H21F2N — CID 1377232

IUPAC4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine
SMILESFc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1F
InChIInChI=1S/C19H21F2N/c20-18-7-6-17(13-19(18)21)14-22-10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2
InChIKeyUUIXSQDIWURWCK-UHFFFAOYSA-N
MW301.38 g/mol
LogP4.42
Rot. Bonds4

About 4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine

4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine (PubChem CID 1377232) has the molecular formula C19H21F2N and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine
PubChem CID1377232
Molecular FormulaC19H21F2N
Molecular Weight301.38 g/mol
Exact Mass301.16
IUPAC Name4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine
SMILESFc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1F
InChIInChI=1S/C19H21F2N/c20-18-7-6-17(13-19(18)21)14-22-10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2
InChIKeyUUIXSQDIWURWCK-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine (CID 1377232) is 4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine is Fc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1F.
What is the InChIKey of 4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine?
The InChIKey is UUIXSQDIWURWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N/c20-18-7-6-17(13-19(18)21)14-22-10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2.
What are the key properties of 4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine?
4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine has a molecular weight of 301.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(3,4-difluorophenyl)methyl]piperidine is sourced from PubChem (CID 1377232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).