2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol

C13H27NO — CID 102008573

IUPAC2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol
SMILESCN1CC[C@@H](C(C)(C)C)C[C@H]1C(C)(C)O
InChIInChI=1S/C13H27NO/c1-12(2,3)10-7-8-14(6)11(9-10)13(4,5)15/h10-11,15H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyKSKOLAAGQCGMJP-MNOVXSKESA-N
MW213.37 g/mol
LogP2.51
Rot. Bonds1

About 2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol

2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol (PubChem CID 102008573) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol
PubChem CID102008573
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol
SMILESCN1CC[C@@H](C(C)(C)C)C[C@H]1C(C)(C)O
InChIInChI=1S/C13H27NO/c1-12(2,3)10-7-8-14(6)11(9-10)13(4,5)15/h10-11,15H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyKSKOLAAGQCGMJP-MNOVXSKESA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol (CID 102008573) is 2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol is CN1CC[C@@H](C(C)(C)C)C[C@H]1C(C)(C)O.
What is the InChIKey of 2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol?
The InChIKey is KSKOLAAGQCGMJP-MNOVXSKESA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)10-7-8-14(6)11(9-10)13(4,5)15/h10-11,15H,7-9H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of 2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol?
2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol has a molecular weight of 213.37 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol is sourced from PubChem (CID 102008573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).