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

C17H24ClNO — CID 117474234

IUPAC2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine
SMILESCOc1c(Cl)cc2c(c1C1CCCCN1)CCCCC2
InChIInChI=1S/C17H24ClNO/c1-20-17-14(18)11-12-7-3-2-4-8-13(12)16(17)15-9-5-6-10-19-15/h11,15,19H,2-10H2,1H3
InChIKeyQERWTUJYMNWGKD-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.43
Rot. Bonds2

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

2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine (PubChem CID 117474234) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine.

Molecular Properties

Compound Name2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine
PubChem CID117474234
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine
SMILESCOc1c(Cl)cc2c(c1C1CCCCN1)CCCCC2
InChIInChI=1S/C17H24ClNO/c1-20-17-14(18)11-12-7-3-2-4-8-13(12)16(17)15-9-5-6-10-19-15/h11,15,19H,2-10H2,1H3
InChIKeyQERWTUJYMNWGKD-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
CID 117418762
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117397972
2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
CID 117397971
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
2-(3-chloro-2,5-difluoro-6-methoxyphenyl)piperidine
CID 117409057
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
2-(5-methoxy-2,3-dihydro-1H-inden-4-yl)pyrrolidine
CID 77131665
2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine
CID 117409054
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
(2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine
CID 66519369
3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol
CID 117432185

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine?
The IUPAC name of 2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine (CID 117474234) is 2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine.
What is the SMILES notation for 2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine?
The canonical SMILES for 2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine is COc1c(Cl)cc2c(c1C1CCCCN1)CCCCC2.
What is the InChIKey of 2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine?
The InChIKey is QERWTUJYMNWGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-20-17-14(18)11-12-7-3-2-4-8-13(12)16(17)15-9-5-6-10-19-15/h11,15,19H,2-10H2,1H3.
What are the key properties of 2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine?
2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine has a molecular weight of 293.84 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine is sourced from PubChem (CID 117474234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).