[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone

C14H16ClF2NO2 — CID 82701609

IUPAC[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
SMILESO=C(c1cccc(F)c1F)N1CCC(OCCCl)CC1
InChIInChI=1S/C14H16ClF2NO2/c15-6-9-20-10-4-7-18(8-5-10)14(19)11-2-1-3-12(16)13(11)17/h1-3,10H,4-9H2
InChIKeyPORZYQPXPSBKAQ-UHFFFAOYSA-N
MW303.74 g/mol
LogP2.82
Rot. Bonds4

About [4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone

[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone (PubChem CID 82701609) has the molecular formula C14H16ClF2NO2 and a molecular weight of 303.74 g/mol. Its IUPAC name is [4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
PubChem CID82701609
Molecular FormulaC14H16ClF2NO2
Molecular Weight303.74 g/mol
Exact Mass303.08
IUPAC Name[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
SMILESO=C(c1cccc(F)c1F)N1CCC(OCCCl)CC1
InChIInChI=1S/C14H16ClF2NO2/c15-6-9-20-10-4-7-18(8-5-10)14(19)11-2-1-3-12(16)13(11)17/h1-3,10H,4-9H2
InChIKeyPORZYQPXPSBKAQ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-(2-chloroethoxy)piperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 82701310
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 82701460
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 82701383
[4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 82701909
1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
CID 62650616
[4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 82701395
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
[4-(3-aminopropoxy)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86778691
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863992
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 82701691
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone?
The IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone (CID 82701609) is [4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone.
What is the SMILES notation for [4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone?
The canonical SMILES for [4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone is O=C(c1cccc(F)c1F)N1CCC(OCCCl)CC1.
What is the InChIKey of [4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone?
The InChIKey is PORZYQPXPSBKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO2/c15-6-9-20-10-4-7-18(8-5-10)14(19)11-2-1-3-12(16)13(11)17/h1-3,10H,4-9H2.
What are the key properties of [4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone?
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone has a molecular weight of 303.74 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone is sourced from PubChem (CID 82701609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).