4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine

C14H21N — CID 170764885

IUPAC4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine
SMILESCC(C1=CCC=CC=C1)C1CCNCC1
InChIInChI=1S/C14H21N/c1-12(14-8-10-15-11-9-14)13-6-4-2-3-5-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKeyZGRUZRNXZIXHNH-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.06
Rot. Bonds2

About 4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine

4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine (PubChem CID 170764885) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine.

Molecular Properties

Compound Name4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine
PubChem CID170764885
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine
SMILESCC(C1=CCC=CC=C1)C1CCNCC1
InChIInChI=1S/C14H21N/c1-12(14-8-10-15-11-9-14)13-6-4-2-3-5-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKeyZGRUZRNXZIXHNH-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine 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

4-[1-(1H-pyrazol-4-yl)ethyl]piperidine
CID 84657149
4-[(1R)-1-fluoroethyl]piperidine
CID 124547551
4-(1-piperidin-4-ylethyl)aniline
CID 115023731
2-(1-piperidin-4-ylethyl)phenol
CID 83908775
4-[(1R)-1-methoxyethyl]piperidine
CID 95732416
4-[(2S)-3-methylbutan-2-yl]piperidine
CID 126758303
4-(1-fluoro-2-methylbutyl)piperidine
CID 112563763
4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine
CID 112563900
4-[(1S)-1-fluoropropyl]piperidine
CID 124547570
4-[1-(3,5-difluorophenoxy)ethyl]piperidine
CID 117051139
4-(4-propan-2-yloxyphenoxy)piperidine
CID 89453291
4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine
CID 114667704

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine?
The IUPAC name of 4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine (CID 170764885) is 4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine.
What is the SMILES notation for 4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine?
The canonical SMILES for 4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine is CC(C1=CCC=CC=C1)C1CCNCC1.
What is the InChIKey of 4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine?
The InChIKey is ZGRUZRNXZIXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-12(14-8-10-15-11-9-14)13-6-4-2-3-5-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3.
What are the key properties of 4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine?
4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine has a molecular weight of 203.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine is sourced from PubChem (CID 170764885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).