1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine

C16H18ClNO — CID 168525370

IUPAC1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine
SMILESCC1CCN(c2c(Cl)cccc2-c2ccco2)CC1
InChIInChI=1S/C16H18ClNO/c1-12-7-9-18(10-8-12)16-13(4-2-5-14(16)17)15-6-3-11-19-15/h2-6,11-12H,7-10H2,1H3
InChIKeyRGHPHIWDYOJRBR-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.84
Rot. Bonds2

About 1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine

1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine (PubChem CID 168525370) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine
PubChem CID168525370
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine
SMILESCC1CCN(c2c(Cl)cccc2-c2ccco2)CC1
InChIInChI=1S/C16H18ClNO/c1-12-7-9-18(10-8-12)16-13(4-2-5-14(16)17)15-6-3-11-19-15/h2-6,11-12H,7-10H2,1H3
InChIKeyRGHPHIWDYOJRBR-UHFFFAOYSA-N
XLogP4.84
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(furan-2-yl)phenyl]pyrrolidine
CID 168527653
1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine
CID 168527732
2-[3-chloro-2-(4-methylpiperidin-1-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607225
1-chloro-3-[3-chloro-2-(4-methylpiperidin-1-yl)anilino]propan-2-ol
CID 168637385
[2-chloro-6-(furan-2-yl)phenyl]methanamine
CID 174613355
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
[5-(2,3-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione
CID 16957221
N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide
CID 168520953
8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063247
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 168525088
1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine
CID 173148061

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine?
The IUPAC name of 1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine (CID 168525370) is 1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine is CC1CCN(c2c(Cl)cccc2-c2ccco2)CC1.
What is the InChIKey of 1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine?
The InChIKey is RGHPHIWDYOJRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-7-9-18(10-8-12)16-13(4-2-5-14(16)17)15-6-3-11-19-15/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine?
1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine has a molecular weight of 275.78 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(furan-2-yl)phenyl]-4-methylpiperidine is sourced from PubChem (CID 168525370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).