6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine

C12H20N2O — CID 137483332

IUPAC6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine
SMILESCOC1=CC(C2CCNCC2)CC=C1N
InChIInChI=1S/C12H20N2O/c1-15-12-8-10(2-3-11(12)13)9-4-6-14-7-5-9/h3,8-10,14H,2,4-7,13H2,1H3
InChIKeyISEZEXMTWQVOHV-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.38
Rot. Bonds2

About 6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine

6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine (PubChem CID 137483332) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine
PubChem CID137483332
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine
SMILESCOC1=CC(C2CCNCC2)CC=C1N
InChIInChI=1S/C12H20N2O/c1-15-12-8-10(2-3-11(12)13)9-4-6-14-7-5-9/h3,8-10,14H,2,4-7,13H2,1H3
InChIKeyISEZEXMTWQVOHV-UHFFFAOYSA-N
XLogP1.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine (CID 137483332) is 6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine is COC1=CC(C2CCNCC2)CC=C1N.
What is the InChIKey of 6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is ISEZEXMTWQVOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-15-12-8-10(2-3-11(12)13)9-4-6-14-7-5-9/h3,8-10,14H,2,4-7,13H2,1H3.
What are the key properties of 6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine?
6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 208.30 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 137483332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).