1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid

C13H24N2O2 — CID 124525677

IUPAC1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid
SMILESC[C@@H]1CN(C)CC[C@H]1N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O2/c1-10-9-14(2)6-5-12(10)15-7-3-11(4-8-15)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)/t10-,12-/m1/s1
InChIKeyXLGKQQPFLTVXDD-ZYHUDNBSSA-N
MW240.35 g/mol
LogP1.12
Rot. Bonds2

About 1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid

1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 124525677) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid
PubChem CID124525677
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid
SMILESC[C@@H]1CN(C)CC[C@H]1N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O2/c1-10-9-14(2)6-5-12(10)15-7-3-11(4-8-15)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)/t10-,12-/m1/s1
InChIKeyXLGKQQPFLTVXDD-ZYHUDNBSSA-N
XLogP1.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane
CID 114505869
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
(2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 51980118
1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103268593
1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;dihydrochloride
CID 159086943
4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114505373
1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane
CID 114505870
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine
CID 124864863
1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid
CID 64731256
3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114505769
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid (CID 124525677) is 1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid is C[C@@H]1CN(C)CC[C@H]1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is XLGKQQPFLTVXDD-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-9-14(2)6-5-12(10)15-7-3-11(4-8-15)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)/t10-,12-/m1/s1.
What are the key properties of 1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid?
1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 124525677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).