[4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone

C14H16ClF2NO2 — CID 63397857

IUPAC[4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)F)cc1)N1CCC(CCl)CC1
InChIInChI=1S/C14H16ClF2NO2/c15-9-10-5-7-18(8-6-10)13(19)11-1-3-12(4-2-11)20-14(16)17/h1-4,10,14H,5-9H2
InChIKeyDUAICDOMUVTGOP-UHFFFAOYSA-N
MW303.74 g/mol
LogP3.38
Rot. Bonds4

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

[4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone (PubChem CID 63397857) has the molecular formula C14H16ClF2NO2 and a molecular weight of 303.74 g/mol. Its IUPAC name is [4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
PubChem CID63397857
Molecular FormulaC14H16ClF2NO2
Molecular Weight303.74 g/mol
Exact Mass303.08
IUPAC Name[4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)F)cc1)N1CCC(CCl)CC1
InChIInChI=1S/C14H16ClF2NO2/c15-9-10-5-7-18(8-6-10)13(19)11-1-3-12(4-2-11)20-14(16)17/h1-4,10,14H,5-9H2
InChIKeyDUAICDOMUVTGOP-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.74
LogP ≤ 53.38
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

(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone;hydrochloride
CID 119483399
[4-(difluoromethoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559882
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
[3-(2-chloroethyl)pyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 114801057
2-[1-[4-(difluoromethoxy)benzoyl]azetidin-3-yl]acetic acid
CID 64605420
[4-(chloromethyl)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 63397763
[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

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone (CID 63397857) is [4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)F)cc1)N1CCC(CCl)CC1.
What is the InChIKey of [4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone?
The InChIKey is DUAICDOMUVTGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO2/c15-9-10-5-7-18(8-6-10)13(19)11-1-3-12(4-2-11)20-14(16)17/h1-4,10,14H,5-9H2.
What are the key properties of [4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone?
[4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone has a molecular weight of 303.74 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 63397857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).