2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol

C12H24N2O — CID 114421704

IUPAC2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CC1CC(C)CCN1
InChIInChI=1S/C12H24N2O/c1-3-6-14(7-8-15)10-12-9-11(2)4-5-13-12/h3,11-13,15H,1,4-10H2,2H3
InChIKeyXZJVLEUVZVDCJY-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.85
Rot. Bonds6

About 2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol

2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol (PubChem CID 114421704) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol
PubChem CID114421704
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CC1CC(C)CCN1
InChIInChI=1S/C12H24N2O/c1-3-6-14(7-8-15)10-12-9-11(2)4-5-13-12/h3,11-13,15H,1,4-10H2,2H3
InChIKeyXZJVLEUVZVDCJY-UHFFFAOYSA-N
XLogP0.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
ethane;2-ethyl-4-methylpiperidine
CID 142379207
N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 114421199
N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 103339373
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 114421378
2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618252
3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one
CID 116685291
2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 132520856
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 106618204
N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
CID 103339487

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol (CID 114421704) is 2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)CC1CC(C)CCN1.
What is the InChIKey of 2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol?
The InChIKey is XZJVLEUVZVDCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-6-14(7-8-15)10-12-9-11(2)4-5-13-12/h3,11-13,15H,1,4-10H2,2H3.
What are the key properties of 2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol?
2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol has a molecular weight of 212.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 114421704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).