3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine

C12H22N2O — CID 142832324

IUPAC3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine
SMILESCOC1=CC(N)CCC1N1CCCCC1
InChIInChI=1S/C12H22N2O/c1-15-12-9-10(13)5-6-11(12)14-7-3-2-4-8-14/h9-11H,2-8,13H2,1H3
InChIKeyMDXIOCGJBLPTBX-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.49
Rot. Bonds2

About 3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine

3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine (PubChem CID 142832324) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine
PubChem CID142832324
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine
SMILESCOC1=CC(N)CCC1N1CCCCC1
InChIInChI=1S/C12H22N2O/c1-15-12-9-10(13)5-6-11(12)14-7-3-2-4-8-14/h9-11H,2-8,13H2,1H3
InChIKeyMDXIOCGJBLPTBX-UHFFFAOYSA-N
XLogP1.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine?
The IUPAC name of 3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine (CID 142832324) is 3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine?
The canonical SMILES for 3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine is COC1=CC(N)CCC1N1CCCCC1.
What is the InChIKey of 3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine?
The InChIKey is MDXIOCGJBLPTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-15-12-9-10(13)5-6-11(12)14-7-3-2-4-8-14/h9-11H,2-8,13H2,1H3.
What are the key properties of 3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine?
3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-piperidin-1-ylcyclohex-2-en-1-amine is sourced from PubChem (CID 142832324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).