1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol

C12H24N2O — CID 4712094

IUPAC1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol
SMILESC=CCC1(NCC(C)O)CCN(C)CC1
InChIInChI=1S/C12H24N2O/c1-4-5-12(13-10-11(2)15)6-8-14(3)9-7-12/h4,11,13,15H,1,5-10H2,2-3H3
InChIKeyYDWDSQNJMXABQG-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds5

About 1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol

1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 4712094) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol
PubChem CID4712094
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol
SMILESC=CCC1(NCC(C)O)CCN(C)CC1
InChIInChI=1S/C12H24N2O/c1-4-5-12(13-10-11(2)15)6-8-14(3)9-7-12/h4,11,13,15H,1,5-10H2,2-3H3
InChIKeyYDWDSQNJMXABQG-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
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 1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol (CID 4712094) is 1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol is C=CCC1(NCC(C)O)CCN(C)CC1.
What is the InChIKey of 1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is YDWDSQNJMXABQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-12(13-10-11(2)15)6-8-14(3)9-7-12/h4,11,13,15H,1,5-10H2,2-3H3.
What are the key properties of 1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol?
1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 212.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 4712094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).