2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

C13H26N2O — CID 103069327

IUPAC2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCC(OC)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-9-12(3)10-15-7-5-13(16-4)6-8-15/h11,13-14H,3,5-10H2,1-2,4H3
InChIKeyXMRGQMGGWXIVAM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds6

About 2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103069327) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
PubChem CID103069327
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCC(OC)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-9-12(3)10-15-7-5-13(16-4)6-8-15/h11,13-14H,3,5-10H2,1-2,4H3
InChIKeyXMRGQMGGWXIVAM-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
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

[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol
CID 103069109
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070719
2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068857
2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103068829
2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068808
2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol
CID 103071403
N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071247
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070395
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070890
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070382
trifluoro-[3-(4-methoxypiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 106745712
2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103537423

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine (CID 103069327) is 2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CN1CCC(OC)CC1.
What is the InChIKey of 2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is XMRGQMGGWXIVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-9-12(3)10-15-7-5-13(16-4)6-8-15/h11,13-14H,3,5-10H2,1-2,4H3.
What are the key properties of 2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103069327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).