4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine

C17H25NO — CID 117402861

IUPAC4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine
SMILESCOc1cc2c(cc1C1CCNCC1)CCCCC2
InChIInChI=1S/C17H25NO/c1-19-17-12-15-6-4-2-3-5-14(15)11-16(17)13-7-9-18-10-8-13/h11-13,18H,2-10H2,1H3
InChIKeyQYNYMDQULDNDTO-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.43
Rot. Bonds2

About 4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine

4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine (PubChem CID 117402861) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine.

Molecular Properties

Compound Name4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine
PubChem CID117402861
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine
SMILESCOc1cc2c(cc1C1CCNCC1)CCCCC2
InChIInChI=1S/C17H25NO/c1-19-17-12-15-6-4-2-3-5-14(15)11-16(17)13-7-9-18-10-8-13/h11-13,18H,2-10H2,1H3
InChIKeyQYNYMDQULDNDTO-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)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-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyrrolidine
CID 117449131
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
2,5-dimethoxy-4-piperidin-4-ylpyridine
CID 84687688
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine
CID 117421917
4-(2-methoxyphenyl)piperidine
CID 544738
3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
CID 117495082
4-(5-tert-butyl-2-methoxyphenyl)azepane
CID 82302415
4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine
CID 117408603
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
4-methoxy-3-piperidin-4-ylbenzaldehyde
CID 166844972

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine?
The IUPAC name of 4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine (CID 117402861) is 4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine.
What is the SMILES notation for 4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine?
The canonical SMILES for 4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine is COc1cc2c(cc1C1CCNCC1)CCCCC2.
What is the InChIKey of 4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine?
The InChIKey is QYNYMDQULDNDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-19-17-12-15-6-4-2-3-5-14(15)11-16(17)13-7-9-18-10-8-13/h11-13,18H,2-10H2,1H3.
What are the key properties of 4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine?
4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine has a molecular weight of 259.39 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine is sourced from PubChem (CID 117402861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).