[5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone

C14H20ClNO2 — CID 82109903

IUPAC[5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC(Cl)c1ccc(C(=O)N2C(C)CCCC2C)o1
InChIInChI=1S/C14H20ClNO2/c1-9-5-4-6-10(2)16(9)14(17)13-8-7-12(18-13)11(3)15/h7-11H,4-6H2,1-3H3
InChIKeyKTUYZLLIHWPMLV-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.98
Rot. Bonds2

About [5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone

[5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 82109903) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID82109903
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC(Cl)c1ccc(C(=O)N2C(C)CCCC2C)o1
InChIInChI=1S/C14H20ClNO2/c1-9-5-4-6-10(2)16(9)14(17)13-8-7-12(18-13)11(3)15/h7-11H,4-6H2,1-3H3
InChIKeyKTUYZLLIHWPMLV-UHFFFAOYSA-N
XLogP3.98
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.98
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-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
[5-(5-amino-2-chlorophenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 100804658
[4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 6932219
[5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 91679692
[5-(3-amino-4-bromophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 100804650
[5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 91679691
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
CID 128538257
2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3699318
2-(2,6-dimethylpiperidine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
CID 84577549
2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]propanoic acid
CID 105346217
(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 30115915

Frequently Asked Questions

What is the IUPAC name of [5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone (CID 82109903) is [5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone is CC(Cl)c1ccc(C(=O)N2C(C)CCCC2C)o1.
What is the InChIKey of [5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is KTUYZLLIHWPMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-5-4-6-10(2)16(9)14(17)13-8-7-12(18-13)11(3)15/h7-11H,4-6H2,1-3H3.
What are the key properties of [5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
[5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 269.77 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 82109903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).