4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine

C13H21NO — CID 143792414

IUPAC4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine
SMILESCOC1=CCC(C)(C2CCNCC2)C=C1
InChIInChI=1S/C13H21NO/c1-13(11-5-9-14-10-6-11)7-3-12(15-2)4-8-13/h3-4,7,11,14H,5-6,8-10H2,1-2H3
InChIKeyLHCPFUZAQXAUOJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.48
Rot. Bonds2

About 4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine

4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine (PubChem CID 143792414) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine.

Molecular Properties

Compound Name4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine
PubChem CID143792414
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine
SMILESCOC1=CCC(C)(C2CCNCC2)C=C1
InChIInChI=1S/C13H21NO/c1-13(11-5-9-14-10-6-11)7-3-12(15-2)4-8-13/h3-4,7,11,14H,5-6,8-10H2,1-2H3
InChIKeyLHCPFUZAQXAUOJ-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine?
The IUPAC name of 4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine (CID 143792414) is 4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine.
What is the SMILES notation for 4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine?
The canonical SMILES for 4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine is COC1=CCC(C)(C2CCNCC2)C=C1.
What is the InChIKey of 4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine?
The InChIKey is LHCPFUZAQXAUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(11-5-9-14-10-6-11)7-3-12(15-2)4-8-13/h3-4,7,11,14H,5-6,8-10H2,1-2H3.
What are the key properties of 4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine?
4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine is sourced from PubChem (CID 143792414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).