4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine

C22H31NO — CID 141213366

IUPAC4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine
SMILESCOc1cccc2c1CCCC2N1CCC(C2C=CCCC2)CC1
InChIInChI=1S/C22H31NO/c1-24-22-12-6-9-19-20(22)10-5-11-21(19)23-15-13-18(14-16-23)17-7-3-2-4-8-17/h3,6-7,9,12,17-18,21H,2,4-5,8,10-11,13-16H2,1H3
InChIKeyPSMHDKXNLKMEOQ-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.14
Rot. Bonds3

About 4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine

4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine (PubChem CID 141213366) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine
PubChem CID141213366
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine
SMILESCOc1cccc2c1CCCC2N1CCC(C2C=CCCC2)CC1
InChIInChI=1S/C22H31NO/c1-24-22-12-6-9-19-20(22)10-5-11-21(19)23-15-13-18(14-16-23)17-7-3-2-4-8-17/h3,6-7,9,12,17-18,21H,2,4-5,8,10-11,13-16H2,1H3
InChIKeyPSMHDKXNLKMEOQ-UHFFFAOYSA-N
XLogP5.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
CID 141010316
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
N-cyclopropyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83910112
4-cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine
CID 44598136
1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 21120088
4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine
CID 24771221
2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene
CID 11424515
6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene
CID 90201598
(1Z)-3-(2-methoxyphenyl)cyclooctene
CID 144754683
1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole
CID 84733977
5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114619851

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine?
The IUPAC name of 4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine (CID 141213366) is 4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine.
What is the SMILES notation for 4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine?
The canonical SMILES for 4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine is COc1cccc2c1CCCC2N1CCC(C2C=CCCC2)CC1.
What is the InChIKey of 4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine?
The InChIKey is PSMHDKXNLKMEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-24-22-12-6-9-19-20(22)10-5-11-21(19)23-15-13-18(14-16-23)17-7-3-2-4-8-17/h3,6-7,9,12,17-18,21H,2,4-5,8,10-11,13-16H2,1H3.
What are the key properties of 4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine?
4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine has a molecular weight of 325.50 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yl-1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine is sourced from PubChem (CID 141213366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).