(1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine

C13H24N2O — CID 114620630

IUPAC(1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine
SMILESCOC1CCN(C2C=CCCC2)C(CN)C1
InChIInChI=1S/C13H24N2O/c1-16-13-7-8-15(12(9-13)10-14)11-5-3-2-4-6-11/h3,5,11-13H,2,4,6-10,14H2,1H3
InChIKeyBVWCLCHMWCEKGH-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.53
Rot. Bonds3

About (1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine

(1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine (PubChem CID 114620630) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine
PubChem CID114620630
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine
SMILESCOC1CCN(C2C=CCCC2)C(CN)C1
InChIInChI=1S/C13H24N2O/c1-16-13-7-8-15(12(9-13)10-14)11-5-3-2-4-6-11/h3,5,11-13H,2,4,6-10,14H2,1H3
InChIKeyBVWCLCHMWCEKGH-UHFFFAOYSA-N
XLogP1.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine
CID 70892510
(1R)-4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-amine
CID 70974391
4-(2,6-Dimethylmorpholin-4-yl)cyclohex-2-en-1-amine
CID 71080599
1-(Cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine
CID 142920845
1-(5-Methoxycyclohexen-1-yl)piperazine
CID 143834986
1-[5-(2-Methoxyethoxy)cyclohex-2-en-1-yl]-3-methylpiperazine
CID 145540019
(4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine
CID 155266903
(4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine
CID 163739102
N-(1-morpholin-4-ylpropan-2-yl)cyclohex-2-en-1-amine
CID 107906778
[4-Methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine
CID 112622556
[4-Methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine
CID 112622587
(4-Methoxy-1-prop-2-enylpiperidin-2-yl)methanamine
CID 112622615

Frequently Asked Questions

What is the IUPAC name of (1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine?
The IUPAC name of (1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine (CID 114620630) is (1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine.
What is the SMILES notation for (1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine?
The canonical SMILES for (1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine is COC1CCN(C2C=CCCC2)C(CN)C1.
What is the InChIKey of (1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine?
The InChIKey is BVWCLCHMWCEKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-16-13-7-8-15(12(9-13)10-14)11-5-3-2-4-6-11/h3,5,11-13H,2,4,6-10,14H2,1H3.
What are the key properties of (1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine?
(1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine has a molecular weight of 224.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine is sourced from PubChem (CID 114620630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).