1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine

C12H19NO — CID 13211647

IUPAC1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine
SMILESCOC1=CCCC(N2CCCCC2)=C1
InChIInChI=1S/C12H19NO/c1-14-12-7-5-6-11(10-12)13-8-3-2-4-9-13/h7,10H,2-6,8-9H2,1H3
InChIKeyXQCROGKLRJNJDK-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.68
Rot. Bonds2

About 1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine

1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine (PubChem CID 13211647) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine
PubChem CID13211647
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine
SMILESCOC1=CCCC(N2CCCCC2)=C1
InChIInChI=1S/C12H19NO/c1-14-12-7-5-6-11(10-12)13-8-3-2-4-9-13/h7,10H,2-6,8-9H2,1H3
InChIKeyXQCROGKLRJNJDK-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine?
The IUPAC name of 1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine (CID 13211647) is 1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine.
What is the SMILES notation for 1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine?
The canonical SMILES for 1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine is COC1=CCCC(N2CCCCC2)=C1.
What is the InChIKey of 1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine?
The InChIKey is XQCROGKLRJNJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-14-12-7-5-6-11(10-12)13-8-3-2-4-9-13/h7,10H,2-6,8-9H2,1H3.
What are the key properties of 1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine?
1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine has a molecular weight of 193.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexa-1,3-dien-1-yl)piperidine is sourced from PubChem (CID 13211647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).