1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine

C26H42N2 — CID 167693962

IUPAC1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C26H42N2/c1-20(2)18-25(19-26(4,5)24-8-6-21(3)7-9-24)28-16-12-23(13-17-28)22-10-14-27-15-11-22/h6-9,18,22-23,25,27H,10-17,19H2,1-5H3
InChIKeySEDKARSQUQHOIP-UHFFFAOYSA-N
MW382.64 g/mol
LogP5.71
Rot. Bonds6

About 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine

1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine (PubChem CID 167693962) has the molecular formula C26H42N2 and a molecular weight of 382.64 g/mol. Its IUPAC name is 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine
PubChem CID167693962
Molecular FormulaC26H42N2
Molecular Weight382.64 g/mol
Exact Mass382.33
IUPAC Name1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C26H42N2/c1-20(2)18-25(19-26(4,5)24-8-6-21(3)7-9-24)28-16-12-23(13-17-28)22-10-14-27-15-11-22/h6-9,18,22-23,25,27H,10-17,19H2,1-5H3
InChIKeySEDKARSQUQHOIP-UHFFFAOYSA-N
XLogP5.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.64
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine
CID 142475199
1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine
CID 142475394
1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-piperidin-1-ylpiperidine
CID 142475098
cyclopropyl-[4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazin-1-yl]methanone;ethane
CID 163403193
[(2R)-1-[(4S)-6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]pyrrolidin-2-yl]methanol
CID 170659392
1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(3-pyrrolidin-1-ylphenyl)piperidine
CID 158792261
1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine
CID 167651923
1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4-[2-(oxolan-3-yloxy)ethyl]piperidine
CID 142475283
1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol
CID 142475115
9-[2,6-dimethyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]hept-2-en-4-yl]-3-oxa-9-azaspiro[5.5]undecane
CID 142475126
N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride
CID 119932143
9-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]-3-oxa-9-azaspiro[5.5]undecane
CID 142475307

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine?
The IUPAC name of 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine (CID 167693962) is 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine.
What is the SMILES notation for 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine?
The canonical SMILES for 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine is CC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine?
The InChIKey is SEDKARSQUQHOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2/c1-20(2)18-25(19-26(4,5)24-8-6-21(3)7-9-24)28-16-12-23(13-17-28)22-10-14-27-15-11-22/h6-9,18,22-23,25,27H,10-17,19H2,1-5H3.
What are the key properties of 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine?
1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine has a molecular weight of 382.64 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine is sourced from PubChem (CID 167693962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).