(3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol

C7H16NO+ — CID 6984944

IUPAC(3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol
SMILESC[C@H]1C[C@H](O)C[NH+](C)C1
InChIInChI=1S/C7H15NO/c1-6-3-7(9)5-8(2)4-6/h6-7,9H,3-5H2,1-2H3/p+1/t6-,7-/m0/s1
InChIKeyCBRMWULTQJIPNA-BQBZGAKWSA-O
MW130.21 g/mol
LogP-1.10
Rot. Bonds

About (3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol

(3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol (PubChem CID 6984944) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is (3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol.

Molecular Properties

Compound Name(3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol
PubChem CID6984944
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name(3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol
SMILESC[C@H]1C[C@H](O)C[NH+](C)C1
InChIInChI=1S/C7H15NO/c1-6-3-7(9)5-8(2)4-6/h6-7,9H,3-5H2,1-2H3/p+1/t6-,7-/m0/s1
InChIKeyCBRMWULTQJIPNA-BQBZGAKWSA-O
XLogP-1.10
TPSA24.67 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 ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
CID 130964756
(3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol
CID 59130953
cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane
CID 171838675
3-methylcyclopentan-1-ol;yttrium
CID 178142170
(3S,5S)-1-amino-5-methylpiperidin-3-ol
CID 134534794
(2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol
CID 6984969
formic acid;3-methylcyclobutan-1-ol
CID 175459565
ethane;(1R)-3-methylcyclohexan-1-ol
CID 145275507
3-methylcyclononan-1-ol
CID 143603449
(1S)-3-methylcyclopentadecan-1-ol
CID 177450802
(3S,5S)-1,5-dimethylpyrrolidin-3-ol
CID 59896080
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol?
The IUPAC name of (3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol (CID 6984944) is (3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol.
What is the SMILES notation for (3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol?
The canonical SMILES for (3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol is C[C@H]1C[C@H](O)C[NH+](C)C1.
What is the InChIKey of (3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol?
The InChIKey is CBRMWULTQJIPNA-BQBZGAKWSA-O. The full InChI is InChI=1S/C7H15NO/c1-6-3-7(9)5-8(2)4-6/h6-7,9H,3-5H2,1-2H3/p+1/t6-,7-/m0/s1.
What are the key properties of (3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol?
(3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol has a molecular weight of 130.21 g/mol, XLogP of -1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol is sourced from PubChem (CID 6984944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).