(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone

C19H19F2NO — CID 24725221

IUPAC(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(F)c(F)c1)c1ccccc1CN1CCCCC1
InChIInChI=1S/C19H19F2NO/c20-17-9-8-14(12-18(17)21)19(23)16-7-3-2-6-15(16)13-22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyXDLNBUNIWMBRHL-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.18
Rot. Bonds4

About (3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone

(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone (PubChem CID 24725221) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
PubChem CID24725221
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Name(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(F)c(F)c1)c1ccccc1CN1CCCCC1
InChIInChI=1S/C19H19F2NO/c20-17-9-8-14(12-18(17)21)19(23)16-7-3-2-6-15(16)13-22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyXDLNBUNIWMBRHL-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725260
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
CID 24725309
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 24725330
(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725485
2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
CID 52502701

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone (CID 24725221) is (3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone is O=C(c1ccc(F)c(F)c1)c1ccccc1CN1CCCCC1.
What is the InChIKey of (3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone?
The InChIKey is XDLNBUNIWMBRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO/c20-17-9-8-14(12-18(17)21)19(23)16-7-3-2-6-15(16)13-22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2.
What are the key properties of (3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone?
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone has a molecular weight of 315.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24725221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).