N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide

C12H22N2O2 — CID 58999388

IUPACN-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC1CCN(CCO)CC1
InChIInChI=1S/C12H22N2O2/c1-10(2)12(16)13-9-11-3-5-14(6-4-11)7-8-15/h11,15H,1,3-9H2,2H3,(H,13,16)
InChIKeyFXWZOLNTCUZNAT-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.38
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide

N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide (PubChem CID 58999388) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide
PubChem CID58999388
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC1CCN(CCO)CC1
InChIInChI=1S/C12H22N2O2/c1-10(2)12(16)13-9-11-3-5-14(6-4-11)7-8-15/h11,15H,1,3-9H2,2H3,(H,13,16)
InChIKeyFXWZOLNTCUZNAT-UHFFFAOYSA-N
XLogP0.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide (CID 58999388) is N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCC1CCN(CCO)CC1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide?
The InChIKey is FXWZOLNTCUZNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)12(16)13-9-11-3-5-14(6-4-11)7-8-15/h11,15H,1,3-9H2,2H3,(H,13,16).
What are the key properties of N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide?
N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide is sourced from PubChem (CID 58999388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).