[1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine

C10H18Cl2N2O — CID 103941156

IUPAC[1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(CC(Cl)=CCl)C(CN)C1
InChIInChI=1S/C10H18Cl2N2O/c1-15-10-2-3-14(7-8(12)5-11)9(4-10)6-13/h5,9-10H,2-4,6-7,13H2,1H3
InChIKeySNZAVTSVCDIYHN-UHFFFAOYSA-N
MW253.17 g/mol
LogP1.74
Rot. Bonds4

About [1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine

[1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine (PubChem CID 103941156) has the molecular formula C10H18Cl2N2O and a molecular weight of 253.17 g/mol. Its IUPAC name is [1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
PubChem CID103941156
Molecular FormulaC10H18Cl2N2O
Molecular Weight253.17 g/mol
Exact Mass252.08
IUPAC Name[1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(CC(Cl)=CCl)C(CN)C1
InChIInChI=1S/C10H18Cl2N2O/c1-15-10-2-3-14(7-8(12)5-11)9(4-10)6-13/h5,9-10H,2-4,6-7,13H2,1H3
InChIKeySNZAVTSVCDIYHN-UHFFFAOYSA-N
XLogP1.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 79174208
3-[1-(2,3-Dichloroprop-2-enyl)piperidin-4-yl]oxypropan-1-amine
CID 79735554
[1-(3-Chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
CID 106439525
[1-(2-Chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
CID 112622478
[1-[(E)-3-chloroprop-2-enyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622561
(4-Methoxy-1-prop-2-enylpiperidin-2-yl)methanamine
CID 112622615
[4-Methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine
CID 112622655

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine (CID 103941156) is [1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine is COC1CCN(CC(Cl)=CCl)C(CN)C1.
What is the InChIKey of [1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is SNZAVTSVCDIYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl2N2O/c1-15-10-2-3-14(7-8(12)5-11)9(4-10)6-13/h5,9-10H,2-4,6-7,13H2,1H3.
What are the key properties of [1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine?
[1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 253.17 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dichloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 103941156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).