(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid

C8H15NO2 — CID 124547889

IUPAC(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
SMILESC[C@@H]1CC[C@@H](C(=O)O)CN1C
InChIInChI=1S/C8H15NO2/c1-6-3-4-7(8(10)11)5-9(6)2/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyKAFUJNCMLYVTKS-RNFRBKRXSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds1

About (3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid

(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid (PubChem CID 124547889) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
PubChem CID124547889
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
SMILESC[C@@H]1CC[C@@H](C(=O)O)CN1C
InChIInChI=1S/C8H15NO2/c1-6-3-4-7(8(10)11)5-9(6)2/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyKAFUJNCMLYVTKS-RNFRBKRXSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 145074333
(2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 66990949
acetaldehyde;1,6-dimethylpiperidine-3-carboxamide
CID 156717131
1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid
CID 83915215
4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783353
cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093101
1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid
CID 130901537
6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122084180
1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083654
1,2-dimethylaziridine;propanoic acid
CID 175486579
1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid
CID 122084212
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid?
The IUPAC name of (3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid (CID 124547889) is (3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid is C[C@@H]1CC[C@@H](C(=O)O)CN1C.
What is the InChIKey of (3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid?
The InChIKey is KAFUJNCMLYVTKS-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-3-4-7(8(10)11)5-9(6)2/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m1/s1.
What are the key properties of (3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid?
(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 124547889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).