1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine

C14H23NO — CID 13211650

IUPAC1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCOC1=CC(C)(C)CC(N2CCCCC2)=C1
InChIInChI=1S/C14H23NO/c1-14(2)10-12(9-13(11-14)16-3)15-7-5-4-6-8-15/h9,11H,4-8,10H2,1-3H3
InChIKeyDQYHLXLJBJOUNE-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds2

About 1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine

1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine (PubChem CID 13211650) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine
PubChem CID13211650
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCOC1=CC(C)(C)CC(N2CCCCC2)=C1
InChIInChI=1S/C14H23NO/c1-14(2)10-12(9-13(11-14)16-3)15-7-5-4-6-8-15/h9,11H,4-8,10H2,1-3H3
InChIKeyDQYHLXLJBJOUNE-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine?
The IUPAC name of 1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine (CID 13211650) is 1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine.
What is the SMILES notation for 1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine?
The canonical SMILES for 1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine is COC1=CC(C)(C)CC(N2CCCCC2)=C1.
What is the InChIKey of 1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine?
The InChIKey is DQYHLXLJBJOUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2)10-12(9-13(11-14)16-3)15-7-5-4-6-8-15/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine?
1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine has a molecular weight of 221.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidine is sourced from PubChem (CID 13211650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).