2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine

C12H24N2O — CID 62567902

IUPAC2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(OC)CC1
InChIInChI=1S/C12H24N2O/c1-4-7-13-10-11(2)14-8-5-12(15-3)6-9-14/h4,11-13H,1,5-10H2,2-3H3
InChIKeySZZGYYYRWFPENS-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds6

About 2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine

2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine (PubChem CID 62567902) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine
PubChem CID62567902
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(OC)CC1
InChIInChI=1S/C12H24N2O/c1-4-7-13-10-11(2)14-8-5-12(15-3)6-9-14/h4,11-13H,1,5-10H2,2-3H3
InChIKeySZZGYYYRWFPENS-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
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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Related Compounds

3-piperidin-4-yloxy-N,N-bis(prop-2-enyl)propan-1-amine
CID 55251447
(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 166013273
2-(4-ethoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 55073666
N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine
CID 55087816
N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine
CID 55088796
N-[2-(4-ethoxypiperidin-1-yl)ethyl]pentan-2-amine
CID 55089771
N-[2-(4-methoxypiperidin-1-yl)ethyl]propan-2-amine
CID 60842904
N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine
CID 60852865
N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-2-amine
CID 61216687
N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine
CID 61217050
1-(4-methoxypiperidin-1-yl)-N-propylpropan-2-amine
CID 61773482
3-(4-methoxypiperidin-1-yl)-N-methylbutan-2-amine
CID 61773673

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine (CID 62567902) is 2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CCC(OC)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The InChIKey is SZZGYYYRWFPENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-13-10-11(2)14-8-5-12(15-3)6-9-14/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 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)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62567902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).