2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide

C14H29N3O2 — CID 111437433

IUPAC2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide
SMILESCCC(O)CN(C)CC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C14H29N3O2/c1-4-13(18)10-16(3)9-12-5-7-17(8-6-12)11-14(19)15-2/h12-13,18H,4-11H2,1-3H3,(H,15,19)
InChIKeyVKIJDDATXOZTMF-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.15
Rot. Bonds7

About 2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide

2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide (PubChem CID 111437433) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide
PubChem CID111437433
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide
SMILESCCC(O)CN(C)CC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C14H29N3O2/c1-4-13(18)10-16(3)9-12-5-7-17(8-6-12)11-14(19)15-2/h12-13,18H,4-11H2,1-3H3,(H,15,19)
InChIKeyVKIJDDATXOZTMF-UHFFFAOYSA-N
XLogP0.15
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide (CID 111437433) is 2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide is CCC(O)CN(C)CC1CCN(CC(=O)NC)CC1.
What is the InChIKey of 2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is VKIJDDATXOZTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-13(18)10-16(3)9-12-5-7-17(8-6-12)11-14(19)15-2/h12-13,18H,4-11H2,1-3H3,(H,15,19).
What are the key properties of 2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide?
2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 271.40 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 111437433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).