2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one

C16H33NO2 — CID 170755576

IUPAC2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one
SMILESCCCC(=O)N1CCCCC1.CCCC(CC)CO
InChIInChI=1S/C9H17NO.C7H16O/c1-2-6-9(11)10-7-4-3-5-8-10;1-3-5-7(4-2)6-8/h2-8H2,1H3;7-8H,3-6H2,1-2H3
InChIKeyMUDSMWCGQOMEGO-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.60
Rot. Bonds6

About 2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one

2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one (PubChem CID 170755576) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one
PubChem CID170755576
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one
SMILESCCCC(=O)N1CCCCC1.CCCC(CC)CO
InChIInChI=1S/C9H17NO.C7H16O/c1-2-6-9(11)10-7-4-3-5-8-10;1-3-5-7(4-2)6-8/h2-8H2,1H3;7-8H,3-6H2,1-2H3
InChIKeyMUDSMWCGQOMEGO-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one 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

1-[4-(2-Hydroxy-1-methyl-ethyl)-piperidin-1-yl]-tridecan-1-one
CID 44271494
1-[3-(Hydroxymethyl)-1-piperidinyl]-3-methyl-1-butanone
CID 43422397
3-(N-Acetyl-4-piperidinyl)propanol
CID 21468229
4,4,4-Trifluoro-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 65711172
6,6,6-Trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 145241923
1-Ethyl-5-(2-hydroxyethyl)piperidin-2-one
CID 18726886
1-[3-(Hydroxymethyl)piperidin-1-yl]hexadecan-1-one
CID 20136358
1-[3-(2-Hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 20729524
1-[3-(Hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 20729525
Ethanone,1-[4-(2-hydroxyethyl)-1-piperidinyl]-
CID 21468226
N-butyl-4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-N-methylbutanamide
CID 21696021
N-butyl-4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-N-methylbutanamide;hydrochloride
CID 21696026

Frequently Asked Questions

What is the IUPAC name of 2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one?
The IUPAC name of 2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one (CID 170755576) is 2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one is CCCC(=O)N1CCCCC1.CCCC(CC)CO.
What is the InChIKey of 2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one?
The InChIKey is MUDSMWCGQOMEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C7H16O/c1-2-6-9(11)10-7-4-3-5-8-10;1-3-5-7(4-2)6-8/h2-8H2,1H3;7-8H,3-6H2,1-2H3.
What are the key properties of 2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one?
2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one has a molecular weight of 271.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 170755576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).