2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide

C12H24N2O2 — CID 58171914

IUPAC2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide
SMILESCC(C)(C)C(CO)C(=O)NN1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)10(9-15)11(16)13-14-7-5-4-6-8-14/h10,15H,4-9H2,1-3H3,(H,13,16)
InChIKeyNJGALELXALTBAU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.16
Rot. Bonds3

About 2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide

2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide (PubChem CID 58171914) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide
PubChem CID58171914
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide
SMILESCC(C)(C)C(CO)C(=O)NN1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)10(9-15)11(16)13-14-7-5-4-6-8-14/h10,15H,4-9H2,1-3H3,(H,13,16)
InChIKeyNJGALELXALTBAU-UHFFFAOYSA-N
XLogP1.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide?
The IUPAC name of 2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide (CID 58171914) is 2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide.
What is the SMILES notation for 2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide?
The canonical SMILES for 2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide is CC(C)(C)C(CO)C(=O)NN1CCCCC1.
What is the InChIKey of 2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide?
The InChIKey is NJGALELXALTBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)10(9-15)11(16)13-14-7-5-4-6-8-14/h10,15H,4-9H2,1-3H3,(H,13,16).
What are the key properties of 2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide?
2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide is sourced from PubChem (CID 58171914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).