2-butyl-1-methylpiperidin-4-ol

C10H21NO — CID 20644485

IUPAC2-butyl-1-methylpiperidin-4-ol
SMILESCCCCC1CC(O)CCN1C
InChIInChI=1S/C10H21NO/c1-3-4-5-9-8-10(12)6-7-11(9)2/h9-10,12H,3-8H2,1-2H3
InChIKeyCLGGPZQFSBKXHU-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.63
Rot. Bonds3

About 2-butyl-1-methylpiperidin-4-ol

2-butyl-1-methylpiperidin-4-ol (PubChem CID 20644485) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-butyl-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name2-butyl-1-methylpiperidin-4-ol
PubChem CID20644485
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-butyl-1-methylpiperidin-4-ol
SMILESCCCCC1CC(O)CCN1C
InChIInChI=1S/C10H21NO/c1-3-4-5-9-8-10(12)6-7-11(9)2/h9-10,12H,3-8H2,1-2H3
InChIKeyCLGGPZQFSBKXHU-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butyl-1-methylpiperidin-4-ol 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

(1S,5R)-8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Ol
CID 449293
8-Methyl-8-azabicyclo(3.2.1)octan-3-ol
CID 8424
2-Piperidineethanol, 1-methyl-
CID 98085
Sedridine
CID 164633
1-(1-Methylpiperidin-2-yl)propan-2-ol
CID 11972082
N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine
CID 398123
Tropine
CID 6101956
Pseudotropine hydrochloride
CID 200599
1-(Piperidin-2-yl)propan-2-ol
CID 12305987
3-Hydroxy-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium iodide
CID 13710638
(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol
CID 10866594
(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
CID 11021533

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methylpiperidin-4-ol?
The IUPAC name of 2-butyl-1-methylpiperidin-4-ol (CID 20644485) is 2-butyl-1-methylpiperidin-4-ol.
What is the SMILES notation for 2-butyl-1-methylpiperidin-4-ol?
The canonical SMILES for 2-butyl-1-methylpiperidin-4-ol is CCCCC1CC(O)CCN1C.
What is the InChIKey of 2-butyl-1-methylpiperidin-4-ol?
The InChIKey is CLGGPZQFSBKXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-9-8-10(12)6-7-11(9)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-butyl-1-methylpiperidin-4-ol?
2-butyl-1-methylpiperidin-4-ol has a molecular weight of 171.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methylpiperidin-4-ol is sourced from PubChem (CID 20644485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).