N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide

C13H26N2O2 — CID 121200050

IUPACN-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)CN1CCC(CO)CC1
InChIInChI=1S/C13H26N2O2/c1-3-4-7-14(2)13(17)10-15-8-5-12(11-16)6-9-15/h12,16H,3-11H2,1-2H3
InChIKeyKFZVZJHRAOOMEC-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.95
Rot. Bonds6

About N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide

N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide (PubChem CID 121200050) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
PubChem CID121200050
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)CN1CCC(CO)CC1
InChIInChI=1S/C13H26N2O2/c1-3-4-7-14(2)13(17)10-15-8-5-12(11-16)6-9-15/h12,16H,3-11H2,1-2H3
InChIKeyKFZVZJHRAOOMEC-UHFFFAOYSA-N
XLogP0.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 129494486
2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide
CID 142136650
2-(4-aminopiperidin-1-yl)-N-butyl-N-cyclopropylacetamide
CID 79328313
N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899377
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60505380
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 60505113
N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 109002192
N-butyl-N-methyl-2-piperidin-4-ylacetamide
CID 24710322
2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243071
2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide
CID 60542861
N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
CID 43253394
N-(2-cyclohexylethyl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171715

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide (CID 121200050) is N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide is CCCCN(C)C(=O)CN1CCC(CO)CC1.
What is the InChIKey of N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide?
The InChIKey is KFZVZJHRAOOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-4-7-14(2)13(17)10-15-8-5-12(11-16)6-9-15/h12,16H,3-11H2,1-2H3.
What are the key properties of N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide?
N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide has a molecular weight of 242.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 121200050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).