(3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol

C13H28NO+ — CID 6921143

IUPAC(3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol
SMILESCC(C)(C)[C@H]1C[C@@H](O)C[NH+](C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6/h10-11,15H,7-9H2,1-6H3/p+1/t10-,11+/m0/s1
InChIKeySXCPSDUKJOOIEW-WDEREUQCSA-O
MW214.37 g/mol
LogP1.10
Rot. Bonds

About (3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol

(3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol (PubChem CID 6921143) has the molecular formula C13H28NO+ and a molecular weight of 214.37 g/mol. Its IUPAC name is (3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol.

Molecular Properties

Compound Name(3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol
PubChem CID6921143
Molecular FormulaC13H28NO+
Molecular Weight214.37 g/mol
Exact Mass214.22
IUPAC Name(3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol
SMILESCC(C)(C)[C@H]1C[C@@H](O)C[NH+](C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6/h10-11,15H,7-9H2,1-6H3/p+1/t10-,11+/m0/s1
InChIKeySXCPSDUKJOOIEW-WDEREUQCSA-O
XLogP1.10
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-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

2,6-ditert-butylspiro[3.3]heptane
CID 140647096
cis-(3R,5S)-3,5-bis(2-hydroxypropan-2-yl)cyclohexan-1-ol
CID 121423126
3-(1,1-difluoroethyl)cyclobutan-1-ol
CID 155891385
4-tert-butylcyclohexan-1-ol;methane
CID 159612628
2-tert-butylspiro[3.5]nonan-7-ol
CID 171769059
(3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol
CID 6984944
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
(3R,5R)-5-tert-butyloxolan-3-ol
CID 129415600
(3S,5R)-5-tert-butyloxolan-3-ol
CID 129415604
(3R,5S)-5-tert-butyloxolan-3-ol
CID 129415677
(1R,5S)-3-tert-butylbicyclo[3.1.0]hexane
CID 172509136
1,3-ditert-butylcyclopentane;ethane
CID 161179598

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol?
The IUPAC name of (3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol (CID 6921143) is (3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol.
What is the SMILES notation for (3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol?
The canonical SMILES for (3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol is CC(C)(C)[C@H]1C[C@@H](O)C[NH+](C(C)(C)C)C1.
What is the InChIKey of (3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol?
The InChIKey is SXCPSDUKJOOIEW-WDEREUQCSA-O. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6/h10-11,15H,7-9H2,1-6H3/p+1/t10-,11+/m0/s1.
What are the key properties of (3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol?
(3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol has a molecular weight of 214.37 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol is sourced from PubChem (CID 6921143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).