4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine

C12H15N — CID 142165842

IUPAC4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine
SMILESC1=CCC=CC(C2=CCNCC2)=C1
InChIInChI=1S/C12H15N/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h1,3-7,13H,2,8-10H2
InChIKeyOEZPUFXBYHLCPZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.35
Rot. Bonds1

About 4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine

4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine (PubChem CID 142165842) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine
PubChem CID142165842
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine
SMILESC1=CCC=CC(C2=CCNCC2)=C1
InChIInChI=1S/C12H15N/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h1,3-7,13H,2,8-10H2
InChIKeyOEZPUFXBYHLCPZ-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclohepta-1,3,6-trien-1-yl-1H-1,2,4-triazole
CID 146210781
bis(cyclohexa-1,4-diene);1,5-dihydroanthracene;1,5-dihydronaphthalene;1,7-dihydronaphthalene
CID 159591609
4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol
CID 139724595
3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole
CID 155130317
4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine
CID 53434523
3-(4-ethylphenyl)cyclohepta-1,3,5-triene
CID 143911712
4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;hydrochloride
CID 68746715
cyclohepta-1,3,6-trien-1-amine
CID 141371533
(1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene
CID 173104583
ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene
CID 145328002
bis(4-(1,2,3,6-tetrahydropyridin-4-yl)aniline);2,2,2-trifluoroacetic acid
CID 175843365
ethane;3-(3-phenylphenyl)cyclohepta-1,3,5-triene
CID 144739295

Frequently Asked Questions

What is the IUPAC name of 4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine (CID 142165842) is 4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine is C1=CCC=CC(C2=CCNCC2)=C1.
What is the InChIKey of 4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is OEZPUFXBYHLCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h1,3-7,13H,2,8-10H2.
What are the key properties of 4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine?
4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 173.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-1,3,6-trien-1-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 142165842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).