3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol

C12H25NO — CID 126999297

IUPAC3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol
SMILESCCC1CN(C(C)C(C)C)CCC1O
InChIInChI=1S/C12H25NO/c1-5-11-8-13(7-6-12(11)14)10(4)9(2)3/h9-12,14H,5-8H2,1-4H3
InChIKeyLDYLGEVAVSSELN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.12
Rot. Bonds3

About 3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol

3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol (PubChem CID 126999297) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol
PubChem CID126999297
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol
SMILESCCC1CN(C(C)C(C)C)CCC1O
InChIInChI=1S/C12H25NO/c1-5-11-8-13(7-6-12(11)14)10(4)9(2)3/h9-12,14H,5-8H2,1-4H3
InChIKeyLDYLGEVAVSSELN-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(3-methylbutan-2-yl)piperidin-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

2-(3-ethyl-4-hydroxypiperidin-1-yl)-N,N-dimethylpropanamide
CID 114510876
(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid
CID 129445747
(3S)-1-[(2R)-3-methylbutan-2-yl]pyrrolidin-3-ol
CID 172508295
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
CID 157041264
CID 157041264
3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol
CID 114507986
N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513073
(2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid
CID 129499913
2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
CID 167226625
3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol
CID 114511014
3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one
CID 130826237
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol?
The IUPAC name of 3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol (CID 126999297) is 3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol is CCC1CN(C(C)C(C)C)CCC1O.
What is the InChIKey of 3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol?
The InChIKey is LDYLGEVAVSSELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-11-8-13(7-6-12(11)14)10(4)9(2)3/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol?
3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol has a molecular weight of 199.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol is sourced from PubChem (CID 126999297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).