[4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone

C15H19ClFNO2 — CID 82701395

IUPAC[4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(OCCCl)CC2)ccc1F
InChIInChI=1S/C15H19ClFNO2/c1-11-10-12(2-3-14(11)17)15(19)18-7-4-13(5-8-18)20-9-6-16/h2-3,10,13H,4-9H2,1H3
InChIKeyCTHHYQFFJHCCIV-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.99
Rot. Bonds4

About [4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone

[4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone (PubChem CID 82701395) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is [4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
PubChem CID82701395
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name[4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(OCCCl)CC2)ccc1F
InChIInChI=1S/C15H19ClFNO2/c1-11-10-12(2-3-14(11)17)15(19)18-7-4-13(5-8-18)20-9-6-16/h2-3,10,13H,4-9H2,1H3
InChIKeyCTHHYQFFJHCCIV-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.99
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-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236873
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 82689439
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 82701609
[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 91836669
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82687767
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 133116929
(4-fluoro-3-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55163647
[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863992
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 82701383
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 82701691
[4-(2-bromoethoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 82701331

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone (CID 82701395) is [4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCC(OCCCl)CC2)ccc1F.
What is the InChIKey of [4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is CTHHYQFFJHCCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-11-10-12(2-3-14(11)17)15(19)18-7-4-13(5-8-18)20-9-6-16/h2-3,10,13H,4-9H2,1H3.
What are the key properties of [4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone?
[4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 299.77 g/mol, XLogP of 2.99, 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]-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 82701395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).