2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol

C13H27NO — CID 20714176

IUPAC2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol
SMILESCC(C(C)(C)O)C(C)(C)N1CCCCC1
InChIInChI=1S/C13H27NO/c1-11(13(4,5)15)12(2,3)14-9-7-6-8-10-14/h11,15H,6-10H2,1-5H3
InChIKeyCIAPLDKZGBGIFZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds3

About 2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol

2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol (PubChem CID 20714176) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol
PubChem CID20714176
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol
SMILESCC(C(C)(C)O)C(C)(C)N1CCCCC1
InChIInChI=1S/C13H27NO/c1-11(13(4,5)15)12(2,3)14-9-7-6-8-10-14/h11,15H,6-10H2,1-5H3
InChIKeyCIAPLDKZGBGIFZ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol
CID 692210
Piperidine, 1,2,5-trimethyl-4-hydroxy-4-butyl-
CID 603449
4-Tert-butyl-1-methyl-piperidin-4-ol
CID 388489
1-Methyl-4-(2-methylpropyl)piperidin-4-ol
CID 23395567
4-Ethynyl-1,3,5-trimethylpiperidin-4-ol
CID 3541211
4-Ethynyl-1,2,5-trimethylpiperidin-4-ol
CID 3761845
4-Piperidinol, 4-cyclopropyl-1-methyl-
CID 10702047
1-Tert-butyl-4-ethynyl-3-methylpiperidin-4-ol
CID 4254918
1,2,2,4,6,6-Hexamethylpiperidin-4-ol
CID 434568
Tetramethyl-4-piperidinol
CID 18386594
1-Methyl-4-isopropylpiperid-4-ol
CID 23395568
5-Trimethyl-4-ethyl-4-hydroxy-piperidine
CID 59368016

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol?
The IUPAC name of 2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol (CID 20714176) is 2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol.
What is the SMILES notation for 2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol?
The canonical SMILES for 2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol is CC(C(C)(C)O)C(C)(C)N1CCCCC1.
What is the InChIKey of 2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol?
The InChIKey is CIAPLDKZGBGIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(13(4,5)15)12(2,3)14-9-7-6-8-10-14/h11,15H,6-10H2,1-5H3.
What are the key properties of 2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol?
2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-4-piperidin-1-ylpentan-2-ol is sourced from PubChem (CID 20714176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).