1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol

C12H25NO — CID 114495376

IUPAC1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol
SMILESCCC1CCCN(CC(C)(O)CC)C1
InChIInChI=1S/C12H25NO/c1-4-11-7-6-8-13(9-11)10-12(3,14)5-2/h11,14H,4-10H2,1-3H3
InChIKeyCFYPRGPIVHBAQU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds4

About 1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol

1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol (PubChem CID 114495376) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol
PubChem CID114495376
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol
SMILESCCC1CCCN(CC(C)(O)CC)C1
InChIInChI=1S/C12H25NO/c1-4-11-7-6-8-13(9-11)10-12(3,14)5-2/h11,14H,4-10H2,1-3H3
InChIKeyCFYPRGPIVHBAQU-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496386
3-[1-(2-hydroxy-2-methylbutyl)piperidin-3-yl]propanoic acid
CID 114494868
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453803
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 114496411
1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde
CID 114496935
3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine
CID 134317869
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924
2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
CID 114495488
N-ethyl-3-(3-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62257877
2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62276202
N-ethyl-4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66455139

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol (CID 114495376) is 1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol is CCC1CCCN(CC(C)(O)CC)C1.
What is the InChIKey of 1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol?
The InChIKey is CFYPRGPIVHBAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11-7-6-8-13(9-11)10-12(3,14)5-2/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol?
1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 114495376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).