1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine

C16H22ClN — CID 139776343

IUPAC1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine
SMILESCC1CCN(CCC=Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN/c1-14-9-12-18(13-10-14)11-3-2-4-15-5-7-16(17)8-6-15/h2,4-8,14H,3,9-13H2,1H3
InChIKeyHLSBKMORPYLNJR-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.48
Rot. Bonds4

About 1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine

1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine (PubChem CID 139776343) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine
PubChem CID139776343
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine
SMILESCC1CCN(CCC=Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN/c1-14-9-12-18(13-10-14)11-3-2-4-15-5-7-16(17)8-6-15/h2,4-8,14H,3,9-13H2,1H3
InChIKeyHLSBKMORPYLNJR-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine?
The IUPAC name of 1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine (CID 139776343) is 1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine?
The canonical SMILES for 1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine is CC1CCN(CCC=Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine?
The InChIKey is HLSBKMORPYLNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c1-14-9-12-18(13-10-14)11-3-2-4-15-5-7-16(17)8-6-15/h2,4-8,14H,3,9-13H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine?
1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine has a molecular weight of 263.81 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine is sourced from PubChem (CID 139776343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).