4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine

C13H18ClN — CID 143517204

IUPAC4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine
SMILESCC1(C2=C(Cl)C=CCC=C2)CCNCC1
InChIInChI=1S/C13H18ClN/c1-13(7-9-15-10-8-13)11-5-3-2-4-6-12(11)14/h3-6,15H,2,7-10H2,1H3
InChIKeyHQZHANPTICEFAB-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.39
Rot. Bonds1

About 4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine

4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine (PubChem CID 143517204) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine.

Molecular Properties

Compound Name4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine
PubChem CID143517204
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine
SMILESCC1(C2=C(Cl)C=CCC=C2)CCNCC1
InChIInChI=1S/C13H18ClN/c1-13(7-9-15-10-8-13)11-5-3-2-4-6-12(11)14/h3-6,15H,2,7-10H2,1H3
InChIKeyHQZHANPTICEFAB-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-fluoropiperidine
CID 129166592
3-Fluoro-4-(4-methylcyclohepta-1,3,6-trien-1-yl)piperidine
CID 143617069
3-[(3E,5Z)-3-fluoro-2-methylidenehepta-3,5-dienyl]-3-methylpiperidine
CID 144407199
4-[(2Z,4E)-3-chloro-4-fluorohepta-2,4,6-trien-2-yl]piperidine
CID 144954918
4-(3-Fluoro-3-methylcyclohepta-1,4,6-trien-1-yl)-3,4-dimethylpiperidine
CID 141801275
(9E,11E)-11-chloro-10-fluoro-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene
CID 143833457
(9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene
CID 143833602
3,8-Diazaspiro[5.6]dodec-11-ene
CID 23135227
(3Z,4Z)-3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene
CID 57987015
3-Azaspiro[5.5]undeca-8,10-diene
CID 59929915
4-Cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine
CID 67378559
4-(4-Chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine
CID 70262030

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine?
The IUPAC name of 4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine (CID 143517204) is 4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine.
What is the SMILES notation for 4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine?
The canonical SMILES for 4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine is CC1(C2=C(Cl)C=CCC=C2)CCNCC1.
What is the InChIKey of 4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine?
The InChIKey is HQZHANPTICEFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-13(7-9-15-10-8-13)11-5-3-2-4-6-12(11)14/h3-6,15H,2,7-10H2,1H3.
What are the key properties of 4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine?
4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine has a molecular weight of 223.75 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperidine is sourced from PubChem (CID 143517204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).