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

C14H28N2O — CID 4712287

IUPAC3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol
SMILESC=CCC1(NC(CO)C(C)C)CCN(C)CC1
InChIInChI=1S/C14H28N2O/c1-5-6-14(7-9-16(4)10-8-14)15-13(11-17)12(2)3/h5,12-13,15,17H,1,6-11H2,2-4H3
InChIKeyREIZNXAHYPIVEQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.63
Rot. Bonds6

About 3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol

3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol (PubChem CID 4712287) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol
PubChem CID4712287
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol
SMILESC=CCC1(NC(CO)C(C)C)CCN(C)CC1
InChIInChI=1S/C14H28N2O/c1-5-6-14(7-9-16(4)10-8-14)15-13(11-17)12(2)3/h5,12-13,15,17H,1,6-11H2,2-4H3
InChIKeyREIZNXAHYPIVEQ-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.63
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 3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol (CID 4712287) is 3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol is C=CCC1(NC(CO)C(C)C)CCN(C)CC1.
What is the InChIKey of 3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol?
The InChIKey is REIZNXAHYPIVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-6-14(7-9-16(4)10-8-14)15-13(11-17)12(2)3/h5,12-13,15,17H,1,6-11H2,2-4H3.
What are the key properties of 3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol?
3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 4712287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).