[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone

C19H19F2NO — CID 134116002

IUPAC[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H19F2NO/c20-17-7-6-14(12-18(17)21)13-22-10-8-16(9-11-22)19(23)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2
InChIKeyPCZRZVKPNBWAPY-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.06
Rot. Bonds4

About [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone

[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone (PubChem CID 134116002) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone
PubChem CID134116002
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Name[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H19F2NO/c20-17-7-6-14(12-18(17)21)13-22-10-8-16(9-11-22)19(23)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2
InChIKeyPCZRZVKPNBWAPY-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 107882866
3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide
CID 60523650
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435209
1-[(3,4-difluorophenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918627
[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814
N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 118348853
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
CID 136515283
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402
2-(4-benzoylpiperidin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 16605881
3-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 65053964

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone (CID 134116002) is [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is PCZRZVKPNBWAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO/c20-17-7-6-14(12-18(17)21)13-22-10-8-16(9-11-22)19(23)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2.
What are the key properties of [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone?
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 315.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 134116002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).