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

C14H28N2O — CID 103070719

IUPAC2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCC(COC)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)15-9-13(3)10-16-7-5-14(6-8-16)11-17-4/h12,14-15H,3,5-11H2,1-2,4H3
InChIKeyXWKHICRGWMTMQB-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.90
Rot. Bonds7

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

2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103070719) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
PubChem CID103070719
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCC(COC)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)15-9-13(3)10-16-7-5-14(6-8-16)11-17-4/h12,14-15H,3,5-11H2,1-2,4H3
InChIKeyXWKHICRGWMTMQB-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.90
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-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103069327
2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068857
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-[(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
trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
CID 106746098
N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine
CID 63849110
potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
CID 106746097
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070890
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070395

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine (CID 103070719) is 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CN1CCC(COC)CC1.
What is the InChIKey of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is XWKHICRGWMTMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)15-9-13(3)10-16-7-5-14(6-8-16)11-17-4/h12,14-15H,3,5-11H2,1-2,4H3.
What are the key properties of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine?
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103070719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).