(2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol

C7H16NO+ — CID 11897414

IUPAC(2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol
SMILESC[C@H]1[C@H](C)[NH2+]CC[C@@H]1O
InChIInChI=1S/C7H15NO/c1-5-6(2)8-4-3-7(5)9/h5-9H,3-4H2,1-2H3/p+1/t5-,6-,7-/m0/s1
InChIKeyRSBKVKZYGJSCDI-ACZMJKKPSA-O
MW130.21 g/mol
LogP-0.66
Rot. Bonds

About (2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol

(2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol (PubChem CID 11897414) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is (2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol
PubChem CID11897414
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name(2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol
SMILESC[C@H]1[C@H](C)[NH2+]CC[C@@H]1O
InChIInChI=1S/C7H15NO/c1-5-6(2)8-4-3-7(5)9/h5-9H,3-4H2,1-2H3/p+1/t5-,6-,7-/m0/s1
InChIKeyRSBKVKZYGJSCDI-ACZMJKKPSA-O
XLogP-0.66
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol?
The IUPAC name of (2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol (CID 11897414) is (2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol?
The canonical SMILES for (2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol is C[C@H]1[C@H](C)[NH2+]CC[C@@H]1O.
What is the InChIKey of (2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol?
The InChIKey is RSBKVKZYGJSCDI-ACZMJKKPSA-O. The full InChI is InChI=1S/C7H15NO/c1-5-6(2)8-4-3-7(5)9/h5-9H,3-4H2,1-2H3/p+1/t5-,6-,7-/m0/s1.
What are the key properties of (2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol?
(2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol has a molecular weight of 130.21 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2,3-dimethylpiperidin-1-ium-4-ol is sourced from PubChem (CID 11897414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).