2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol

C11H23NO — CID 79316334

IUPAC2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
SMILESCC1CCN(CCC(C)(C)O)CC1
InChIInChI=1S/C11H23NO/c1-10-4-7-12(8-5-10)9-6-11(2,3)13/h10,13H,4-9H2,1-3H3
InChIKeyGCDVNAJKQPWJLM-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds3

About 2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol

2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol (PubChem CID 79316334) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
PubChem CID79316334
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
SMILESCC1CCN(CCC(C)(C)O)CC1
InChIInChI=1S/C11H23NO/c1-10-4-7-12(8-5-10)9-6-11(2,3)13/h10,13H,4-9H2,1-3H3
InChIKeyGCDVNAJKQPWJLM-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone
CID 79355582
2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79356027
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol
CID 79359785
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
4-methyl-1-[2-(4-methylcyclohexyl)ethyl]piperidine
CID 129059218
2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol
CID 79355818
(3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol
CID 130802812
4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol
CID 79361847
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
N-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]cyclobutanecarboxamide
CID 99775471

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol (CID 79316334) is 2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol is CC1CCN(CCC(C)(C)O)CC1.
What is the InChIKey of 2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol?
The InChIKey is GCDVNAJKQPWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10-4-7-12(8-5-10)9-6-11(2,3)13/h10,13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol?
2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol is sourced from PubChem (CID 79316334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).