(2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol

C10H21NO — CID 125450004

IUPAC(2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol
SMILESCC(C)[C@@H]1C[C@@H](C)N(C)[C@@H](O)C1
InChIInChI=1S/C10H21NO/c1-7(2)9-5-8(3)11(4)10(12)6-9/h7-10,12H,5-6H2,1-4H3/t8-,9-,10+/m1/s1
InChIKeyORDWFTNQRIFZOF-BBBLOLIVSA-N
MW171.28 g/mol
LogP1.69
Rot. Bonds1

About (2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol

(2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol (PubChem CID 125450004) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol.

Molecular Properties

Compound Name(2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol
PubChem CID125450004
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol
SMILESCC(C)[C@@H]1C[C@@H](C)N(C)[C@@H](O)C1
InChIInChI=1S/C10H21NO/c1-7(2)9-5-8(3)11(4)10(12)6-9/h7-10,12H,5-6H2,1-4H3/t8-,9-,10+/m1/s1
InChIKeyORDWFTNQRIFZOF-BBBLOLIVSA-N
XLogP1.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol?
The IUPAC name of (2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol (CID 125450004) is (2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol.
What is the SMILES notation for (2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol?
The canonical SMILES for (2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol is CC(C)[C@@H]1C[C@@H](C)N(C)[C@@H](O)C1.
What is the InChIKey of (2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol?
The InChIKey is ORDWFTNQRIFZOF-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)9-5-8(3)11(4)10(12)6-9/h7-10,12H,5-6H2,1-4H3/t8-,9-,10+/m1/s1.
What are the key properties of (2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol?
(2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol is sourced from PubChem (CID 125450004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).