(4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine

C13H22N2O — CID 70021067

IUPAC(4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1=CCC(CN)(N2CCCCC2)C=C1
InChIInChI=1S/C13H22N2O/c1-16-12-5-7-13(11-14,8-6-12)15-9-3-2-4-10-15/h5-7H,2-4,8-11,14H2,1H3
InChIKeyDSJLHYXMYFGBBF-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.66
Rot. Bonds3

About (4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine

(4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 70021067) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine
PubChem CID70021067
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1=CCC(CN)(N2CCCCC2)C=C1
InChIInChI=1S/C13H22N2O/c1-16-12-5-7-13(11-14,8-6-12)15-9-3-2-4-10-15/h5-7H,2-4,8-11,14H2,1H3
InChIKeyDSJLHYXMYFGBBF-UHFFFAOYSA-N
XLogP1.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine (CID 70021067) is (4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine is COC1=CCC(CN)(N2CCCCC2)C=C1.
What is the InChIKey of (4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is DSJLHYXMYFGBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-16-12-5-7-13(11-14,8-6-12)15-9-3-2-4-10-15/h5-7H,2-4,8-11,14H2,1H3.
What are the key properties of (4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine?
(4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 222.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 70021067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).