N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine

C14H26N2O — CID 114042158

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine
SMILESC=CCN(CC1(COC)CCNCC1)C1CC1
InChIInChI=1S/C14H26N2O/c1-3-10-16(13-4-5-13)11-14(12-17-2)6-8-15-9-7-14/h3,13,15H,1,4-12H2,2H3
InChIKeyPKEQGUNKRIQPEG-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.65
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine (PubChem CID 114042158) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine
PubChem CID114042158
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine
SMILESC=CCN(CC1(COC)CCNCC1)C1CC1
InChIInChI=1S/C14H26N2O/c1-3-10-16(13-4-5-13)11-14(12-17-2)6-8-15-9-7-14/h3,13,15H,1,4-12H2,2H3
InChIKeyPKEQGUNKRIQPEG-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine (CID 114042158) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine is C=CCN(CC1(COC)CCNCC1)C1CC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine?
The InChIKey is PKEQGUNKRIQPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-10-16(13-4-5-13)11-14(12-17-2)6-8-15-9-7-14/h3,13,15H,1,4-12H2,2H3.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine has a molecular weight of 238.37 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylcyclopropanamine is sourced from PubChem (CID 114042158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).