(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone

C13H14ClF2NO2 — CID 63390547

IUPAC(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)F)cc1)N1CCC(Cl)CC1
InChIInChI=1S/C13H14ClF2NO2/c14-10-5-7-17(8-6-10)12(18)9-1-3-11(4-2-9)19-13(15)16/h1-4,10,13H,5-8H2
InChIKeyDJKJZFILLOXHLJ-UHFFFAOYSA-N
MW289.71 g/mol
LogP3.13
Rot. Bonds3

About (4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone

(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone (PubChem CID 63390547) has the molecular formula C13H14ClF2NO2 and a molecular weight of 289.71 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
PubChem CID63390547
Molecular FormulaC13H14ClF2NO2
Molecular Weight289.71 g/mol
Exact Mass289.07
IUPAC Name(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)F)cc1)N1CCC(Cl)CC1
InChIInChI=1S/C13H14ClF2NO2/c14-10-5-7-17(8-6-10)12(18)9-1-3-11(4-2-9)19-13(15)16/h1-4,10,13H,5-8H2
InChIKeyDJKJZFILLOXHLJ-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.71
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
[4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 63397857
[4-(difluoromethoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559882
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone;hydrochloride
CID 119483399
[3-(1-aminoethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 115969439
[4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 124757608
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 27757610
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 31238759
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 116639899

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone (CID 63390547) is (4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)F)cc1)N1CCC(Cl)CC1.
What is the InChIKey of (4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone?
The InChIKey is DJKJZFILLOXHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO2/c14-10-5-7-17(8-6-10)12(18)9-1-3-11(4-2-9)19-13(15)16/h1-4,10,13H,5-8H2.
What are the key properties of (4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone?
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone has a molecular weight of 289.71 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 63390547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).