1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine

C20H31N — CID 78047516

IUPAC1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine
SMILESCC(C)=CC(CC(C)c1ccc(C)cc1)N1CCCCC1
InChIInChI=1S/C20H31N/c1-16(2)14-20(21-12-6-5-7-13-21)15-18(4)19-10-8-17(3)9-11-19/h8-11,14,18,20H,5-7,12-13,15H2,1-4H3
InChIKeyYFQKABSHKQCJKW-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.31
Rot. Bonds5

About 1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine

1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine (PubChem CID 78047516) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine.

Molecular Properties

Compound Name1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine
PubChem CID78047516
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine
SMILESCC(C)=CC(CC(C)c1ccc(C)cc1)N1CCCCC1
InChIInChI=1S/C20H31N/c1-16(2)14-20(21-12-6-5-7-13-21)15-18(4)19-10-8-17(3)9-11-19/h8-11,14,18,20H,5-7,12-13,15H2,1-4H3
InChIKeyYFQKABSHKQCJKW-UHFFFAOYSA-N
XLogP5.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
(6S)-2-methyl-6-(4-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine chloride
CID 71532598
3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82023207
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773
1-(4-methylpent-3-en-2-yl)piperidine
CID 134268073
[1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid
CID 57092140
(2S,4R)-4-(4-methylphenyl)pentan-2-amine
CID 11789769
1-(4-bromopentan-2-yl)-4-methylbenzene
CID 64718589
1-(4-methylphenyl)-1-piperidin-1-ylbutan-2-amine
CID 55016527
3-(4-methylphenyl)-2-piperidin-1-ylbutanenitrile
CID 82084940
methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene
CID 160825618
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 35343824

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine?
The IUPAC name of 1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine (CID 78047516) is 1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine.
What is the SMILES notation for 1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine?
The canonical SMILES for 1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine is CC(C)=CC(CC(C)c1ccc(C)cc1)N1CCCCC1.
What is the InChIKey of 1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine?
The InChIKey is YFQKABSHKQCJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-16(2)14-20(21-12-6-5-7-13-21)15-18(4)19-10-8-17(3)9-11-19/h8-11,14,18,20H,5-7,12-13,15H2,1-4H3.
What are the key properties of 1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine?
1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine has a molecular weight of 285.48 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(4-methylphenyl)hept-2-en-4-yl]piperidine is sourced from PubChem (CID 78047516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).