(3S,4S)-5,5-dimethylpiperidine-3,4-diol

C7H15NO2 — CID 11550031

IUPAC(3S,4S)-5,5-dimethylpiperidine-3,4-diol
SMILESCC1(C)CNC[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO2/c1-7(2)4-8-3-5(9)6(7)10/h5-6,8-10H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyGHFPKMWUROLART-NTSWFWBYSA-N
MW145.20 g/mol
LogP-0.66
Rot. Bonds

About (3S,4S)-5,5-dimethylpiperidine-3,4-diol

(3S,4S)-5,5-dimethylpiperidine-3,4-diol (PubChem CID 11550031) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (3S,4S)-5,5-dimethylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-5,5-dimethylpiperidine-3,4-diol
PubChem CID11550031
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(3S,4S)-5,5-dimethylpiperidine-3,4-diol
SMILESCC1(C)CNC[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO2/c1-7(2)4-8-3-5(9)6(7)10/h5-6,8-10H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyGHFPKMWUROLART-NTSWFWBYSA-N
XLogP-0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-5,5-dimethylpiperidine-3,4-diol?
The IUPAC name of (3S,4S)-5,5-dimethylpiperidine-3,4-diol (CID 11550031) is (3S,4S)-5,5-dimethylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-5,5-dimethylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S)-5,5-dimethylpiperidine-3,4-diol is CC1(C)CNC[C@H](O)[C@H]1O.
What is the InChIKey of (3S,4S)-5,5-dimethylpiperidine-3,4-diol?
The InChIKey is GHFPKMWUROLART-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2)4-8-3-5(9)6(7)10/h5-6,8-10H,3-4H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (3S,4S)-5,5-dimethylpiperidine-3,4-diol?
(3S,4S)-5,5-dimethylpiperidine-3,4-diol has a molecular weight of 145.20 g/mol, XLogP of -0.66, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-5,5-dimethylpiperidine-3,4-diol is sourced from PubChem (CID 11550031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).