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

C11H22N2O — CID 4712280

IUPAC2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol
SMILESC=CCC1(NCCO)CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-3-4-11(12-7-10-14)5-8-13(2)9-6-11/h3,12,14H,1,4-10H2,2H3
InChIKeyVSPIFFYYNQGMTD-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.61
Rot. Bonds5

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

2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol (PubChem CID 4712280) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol
PubChem CID4712280
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol
SMILESC=CCC1(NCCO)CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-3-4-11(12-7-10-14)5-8-13(2)9-6-11/h3,12,14H,1,4-10H2,2H3
InChIKeyVSPIFFYYNQGMTD-UHFFFAOYSA-N
XLogP0.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.61
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 2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol (CID 4712280) is 2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol is C=CCC1(NCCO)CCN(C)CC1.
What is the InChIKey of 2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol?
The InChIKey is VSPIFFYYNQGMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-11(12-7-10-14)5-8-13(2)9-6-11/h3,12,14H,1,4-10H2,2H3.
What are the key properties of 2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol?
2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol has a molecular weight of 198.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol is sourced from PubChem (CID 4712280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).