3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide

C13H26N2O2 — CID 114337979

IUPAC3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCC(O)CC1CCCCN1CCC(=O)N(C)C
InChIInChI=1S/C13H26N2O2/c1-11(16)10-12-6-4-5-8-15(12)9-7-13(17)14(2)3/h11-12,16H,4-10H2,1-3H3
InChIKeyPQSVTKFAPXJUEJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.09
Rot. Bonds5

About 3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide

3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 114337979) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide
PubChem CID114337979
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCC(O)CC1CCCCN1CCC(=O)N(C)C
InChIInChI=1S/C13H26N2O2/c1-11(16)10-12-6-4-5-8-15(12)9-7-13(17)14(2)3/h11-12,16H,4-10H2,1-3H3
InChIKeyPQSVTKFAPXJUEJ-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
CID 114338880
N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide
CID 114338248
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 114338856
N,N-dimethyl-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55256664
ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
CID 114337967
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882
3-[2-(2-methylpropyl)azepan-1-yl]propanoic acid
CID 119137915
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-[1-(2-methylsulfonylethyl)azepan-2-yl]propan-2-ol
CID 114338663
N-cyclopropyl-N-ethyl-2-[2-(2-hydroxypropyl)piperidin-1-yl]acetamide
CID 114338146
3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid
CID 62216161

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide (CID 114337979) is 3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide is CC(O)CC1CCCCN1CCC(=O)N(C)C.
What is the InChIKey of 3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is PQSVTKFAPXJUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(16)10-12-6-4-5-8-15(12)9-7-13(17)14(2)3/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide?
3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 114337979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).