[1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone

C19H18ClF2NO — CID 16189082

IUPAC[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone
SMILESC1CC(CN(C1)CC2=CC(=CC=C2)Cl)C(=O)C3=C(C=CC(=C3)F)F
InChIInChI=1S/C19H18ClF2NO/c20-15-5-1-3-13(9-15)11-23-8-2-4-14(12-23)19(24)17-10-16(21)6-7-18(17)22/h1,3,5-7,9-10,14H,2,4,8,11-12H2
InChIKeyVDAPBQZURYOZHE-UHFFFAOYSA-N
MW349.80 g/mol
LogP4.40
Rot. Bonds4

About [1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone

[1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone (PubChem CID 16189082) has the molecular formula C19H18ClF2NO and a molecular weight of 349.80 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone
PubChem CID16189082
Molecular FormulaC19H18ClF2NO
Molecular Weight349.80 g/mol
Exact Mass349.10
IUPAC Name[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone
SMILESC1CC(CN(C1)CC2=CC(=CC=C2)Cl)C(=O)C3=C(C=CC(=C3)F)F
InChIInChI=1S/C19H18ClF2NO/c20-15-5-1-3-13(9-15)11-23-8-2-4-14(12-23)19(24)17-10-16(21)6-7-18(17)22/h1,3,5-7,9-10,14H,2,4,8,11-12H2
InChIKeyVDAPBQZURYOZHE-UHFFFAOYSA-N
XLogP4.40
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity436

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone?
The IUPAC name of [1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone (CID 16189082) is [1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone.
What is the SMILES notation for [1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone?
The canonical SMILES for [1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone is C1CC(CN(C1)CC2=CC(=CC=C2)Cl)C(=O)C3=C(C=CC(=C3)F)F.
What is the InChIKey of [1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone?
The InChIKey is VDAPBQZURYOZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2NO/c20-15-5-1-3-13(9-15)11-23-8-2-4-14(12-23)19(24)17-10-16(21)6-7-18(17)22/h1,3,5-7,9-10,14H,2,4,8,11-12H2.
What are the key properties of [1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone?
[1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone has a molecular weight of 349.80 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone is sourced from PubChem (CID 16189082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).