(4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine

C10H20N2O — CID 112622615

IUPAC(4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine
SMILESC=CCN1CCC(OC)CC1CN
InChIInChI=1S/C10H20N2O/c1-3-5-12-6-4-10(13-2)7-9(12)8-11/h3,9-10H,1,4-8,11H2,2H3
InChIKeyZKNAFPYHGOEQJL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.61
Rot. Bonds4

About (4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine

(4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine (PubChem CID 112622615) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine
PubChem CID112622615
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine
SMILESC=CCN1CCC(OC)CC1CN
InChIInChI=1S/C10H20N2O/c1-3-5-12-6-4-10(13-2)7-9(12)8-11/h3,9-10H,1,4-8,11H2,2H3
InChIKeyZKNAFPYHGOEQJL-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.61
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

N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine
CID 55087816
4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine
CID 62477661
N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine
CID 62556902
N-[2-(3-ethoxypiperidin-1-yl)ethyl]prop-2-en-1-amine
CID 62557777
N-[2-(4-ethoxypiperidin-1-yl)ethyl]prop-2-en-1-amine
CID 62560160
N-[2-(4-methoxypiperidin-1-yl)ethyl]prop-2-en-1-amine
CID 62561692
2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62567902
2-(4-ethoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62567954
2-(3-ethoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62568212
2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine
CID 63979522
4-(4-Methoxypiperidin-1-yl)but-2-en-1-amine
CID 77110204
3-(1-But-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine
CID 79735047

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine?
The IUPAC name of (4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine (CID 112622615) is (4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine?
The canonical SMILES for (4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine is C=CCN1CCC(OC)CC1CN.
What is the InChIKey of (4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine?
The InChIKey is ZKNAFPYHGOEQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-5-12-6-4-10(13-2)7-9(12)8-11/h3,9-10H,1,4-8,11H2,2H3.
What are the key properties of (4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine?
(4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine has a molecular weight of 184.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-prop-2-enylpiperidin-2-yl)methanamine is sourced from PubChem (CID 112622615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).