(3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol

C10H21NO — CID 7201260

IUPAC(3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(C(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-8-5-9(12)7-11(6-8)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyBEATWLFZIJOJJN-BDAKNGLRSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds

About (3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol

(3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol (PubChem CID 7201260) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol
PubChem CID7201260
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(C(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-8-5-9(12)7-11(6-8)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyBEATWLFZIJOJJN-BDAKNGLRSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol?
The IUPAC name of (3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol (CID 7201260) is (3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol.
What is the SMILES notation for (3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol?
The canonical SMILES for (3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol is C[C@@H]1C[C@H](O)CN(C(C)(C)C)C1.
What is the InChIKey of (3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol?
The InChIKey is BEATWLFZIJOJJN-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-5-9(12)7-11(6-8)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol?
(3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol is sourced from PubChem (CID 7201260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).