(3S,4R)-1,4-dimethylpiperidin-3-ol

C7H15NO — CID 58697519

IUPAC(3S,4R)-1,4-dimethylpiperidin-3-ol
SMILESC[C@@H]1CCN(C)C[C@H]1O
InChIInChI=1S/C7H15NO/c1-6-3-4-8(2)5-7(6)9/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyRRLOPSFVACCLJA-RNFRBKRXSA-N
MW129.20 g/mol
LogP0.32
Rot. Bonds

About (3S,4R)-1,4-dimethylpiperidin-3-ol

(3S,4R)-1,4-dimethylpiperidin-3-ol (PubChem CID 58697519) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S,4R)-1,4-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1,4-dimethylpiperidin-3-ol
PubChem CID58697519
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S,4R)-1,4-dimethylpiperidin-3-ol
SMILESC[C@@H]1CCN(C)C[C@H]1O
InChIInChI=1S/C7H15NO/c1-6-3-4-8(2)5-7(6)9/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyRRLOPSFVACCLJA-RNFRBKRXSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,4-dimethylpiperidin-3-ol?
The IUPAC name of (3S,4R)-1,4-dimethylpiperidin-3-ol (CID 58697519) is (3S,4R)-1,4-dimethylpiperidin-3-ol.
What is the SMILES notation for (3S,4R)-1,4-dimethylpiperidin-3-ol?
The canonical SMILES for (3S,4R)-1,4-dimethylpiperidin-3-ol is C[C@@H]1CCN(C)C[C@H]1O.
What is the InChIKey of (3S,4R)-1,4-dimethylpiperidin-3-ol?
The InChIKey is RRLOPSFVACCLJA-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-3-4-8(2)5-7(6)9/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (3S,4R)-1,4-dimethylpiperidin-3-ol?
(3S,4R)-1,4-dimethylpiperidin-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,4-dimethylpiperidin-3-ol is sourced from PubChem (CID 58697519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).