2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone

C14H28N2O2 — CID 107203920

IUPAC2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CN(C)CCCCCO)C1
InChIInChI=1S/C14H28N2O2/c1-13-7-6-9-16(11-13)14(18)12-15(2)8-4-3-5-10-17/h13,17H,3-12H2,1-2H3
InChIKeyNBBCEDRLLHPPIX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.34
Rot. Bonds7

About 2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone

2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 107203920) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID107203920
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CN(C)CCCCCO)C1
InChIInChI=1S/C14H28N2O2/c1-13-7-6-9-16(11-13)14(18)12-15(2)8-4-3-5-10-17/h13,17H,3-12H2,1-2H3
InChIKeyNBBCEDRLLHPPIX-UHFFFAOYSA-N
XLogP1.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 111110103
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 111799381
methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 94152272
2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55096796
4-[[methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]methyl]benzonitrile
CID 94104022
2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 79121016
3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 54899890
N-(2-methoxyethyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113159876
2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 71911978

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone (CID 107203920) is 2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CN(C)CCCCCO)C1.
What is the InChIKey of 2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is NBBCEDRLLHPPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13-7-6-9-16(11-13)14(18)12-15(2)8-4-3-5-10-17/h13,17H,3-12H2,1-2H3.
What are the key properties of 2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 256.39 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107203920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).