2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol

C13H27NO — CID 114594601

IUPAC2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol
SMILESCCC(C)(O)CN1CC(C)CC(C)C1C
InChIInChI=1S/C13H27NO/c1-6-13(5,15)9-14-8-10(2)7-11(3)12(14)4/h10-12,15H,6-9H2,1-5H3
InChIKeyVVNWKDBJGACWNR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.51
Rot. Bonds3

About 2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol

2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol (PubChem CID 114594601) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol
PubChem CID114594601
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol
SMILESCCC(C)(O)CN1CC(C)CC(C)C1C
InChIInChI=1S/C13H27NO/c1-6-13(5,15)9-14-8-10(2)7-11(3)12(14)4/h10-12,15H,6-9H2,1-5H3
InChIKeyVVNWKDBJGACWNR-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine
CID 114593805
2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid
CID 114593995
N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine
CID 114596807
1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495572
1-amino-2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)pentan-2-ol
CID 114597568
1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine
CID 114594789
2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114596342
methyl 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596359
ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596411
2-methyl-N-(2-methylpropyl)-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-1-amine
CID 114596717
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol
CID 114597780

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol?
The IUPAC name of 2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol (CID 114594601) is 2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol?
The canonical SMILES for 2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol is CCC(C)(O)CN1CC(C)CC(C)C1C.
What is the InChIKey of 2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol?
The InChIKey is VVNWKDBJGACWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-13(5,15)9-14-8-10(2)7-11(3)12(14)4/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol?
2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol is sourced from PubChem (CID 114594601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).