[1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine

C10H19ClN2O — CID 112622478

IUPAC[1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
SMILESC=C(Cl)CN1CCC(OC)CC1CN
InChIInChI=1S/C10H19ClN2O/c1-8(11)7-13-4-3-10(14-2)5-9(13)6-12/h9-10H,1,3-7,12H2,2H3
InChIKeyUDAOTOHPYZINRV-UHFFFAOYSA-N
MW218.73 g/mol
LogP1.18
Rot. Bonds4

About [1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine

[1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine (PubChem CID 112622478) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is [1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
PubChem CID112622478
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name[1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
SMILESC=C(Cl)CN1CCC(OC)CC1CN
InChIInChI=1S/C10H19ClN2O/c1-8(11)7-13-4-3-10(14-2)5-9(13)6-12/h9-10H,1,3-7,12H2,2H3
InChIKeyUDAOTOHPYZINRV-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine (CID 112622478) is [1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine is C=C(Cl)CN1CCC(OC)CC1CN.
What is the InChIKey of [1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is UDAOTOHPYZINRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O/c1-8(11)7-13-4-3-10(14-2)5-9(13)6-12/h9-10H,1,3-7,12H2,2H3.
What are the key properties of [1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine?
[1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 218.73 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 112622478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).