[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone

C14H17F2NO2 — CID 78783741

IUPAC[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C14H17F2NO2/c1-10-4-3-7-17(9-10)13(18)11-5-2-6-12(8-11)19-14(15)16/h2,5-6,8,10,14H,3-4,7,9H2,1H3
InChIKeyFPGDJHRRRWVIDJ-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.16
Rot. Bonds3

About [3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone

[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 78783741) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID78783741
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C14H17F2NO2/c1-10-4-3-7-17(9-10)13(18)11-5-2-6-12(8-11)19-14(15)16/h2,5-6,8,10,14H,3-4,7,9H2,1H3
InChIKeyFPGDJHRRRWVIDJ-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-(difluoromethoxy)benzoyl]-3-methylpiperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 112811910
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119479842
[4-(1-bromoethyl)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 106839146
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55241766
[3-(difluoromethoxy)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 2312190
[3-(difluoromethoxy)phenyl]-[(4S)-4-methoxy-4-methylazepan-1-yl]methanone
CID 124889245
ethyl 1-[3-(difluoromethoxy)benzoyl]piperidine-4-carboxylate
CID 51072598
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone (CID 78783741) is [3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cccc(OC(F)F)c2)C1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FPGDJHRRRWVIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-10-4-3-7-17(9-10)13(18)11-5-2-6-12(8-11)19-14(15)16/h2,5-6,8,10,14H,3-4,7,9H2,1H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone?
[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 269.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 78783741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).