2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine

C13H26N2O — CID 63979522

IUPAC2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(COC)CC1
InChIInChI=1S/C13H26N2O/c1-4-7-14-10-12(2)15-8-5-13(6-9-15)11-16-3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyMOEMFXVFTPKFRR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.51
Rot. Bonds7

About 2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine

2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine (PubChem CID 63979522) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine
PubChem CID63979522
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(COC)CC1
InChIInChI=1S/C13H26N2O/c1-4-7-14-10-12(2)15-8-5-13(6-9-15)11-16-3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyMOEMFXVFTPKFRR-UHFFFAOYSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine (CID 63979522) is 2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CCC(COC)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine?
The InChIKey is MOEMFXVFTPKFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-7-14-10-12(2)15-8-5-13(6-9-15)11-16-3/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of 2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine?
2-[4-(methoxymethyl)piperidin-1-yl]-N-prop-2-enylpropan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.51, 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]-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 63979522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).