(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid

C12H22N2O2 — CID 68690983

IUPAC(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
SMILESCN1CCC(N2CCCC[C@H]2C(=O)O)CC1
InChIInChI=1S/C12H22N2O2/c1-13-8-5-10(6-9-13)14-7-3-2-4-11(14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyFRFHGSFKSJQOMO-NSHDSACASA-N
MW226.32 g/mol
LogP1.02
Rot. Bonds2

About (2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid

(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 68690983) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
PubChem CID68690983
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
SMILESCN1CCC(N2CCCC[C@H]2C(=O)O)CC1
InChIInChI=1S/C12H22N2O2/c1-13-8-5-10(6-9-13)14-7-3-2-4-11(14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyFRFHGSFKSJQOMO-NSHDSACASA-N
XLogP1.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-(1-methylazepan-4-yl)azepane-2-carboxylic acid
CID 65072667
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
1-(1-methylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 65053957
(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 83618259
1-[1-(1-methylpiperidin-4-yl)piperidin-2-yl]propan-1-one
CID 147351272
1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride
CID 126796367
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
1-(3,5-dimethylcyclohexyl)piperidine-2-carboxylic acid
CID 64731455
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118534964
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-2-carboxylic acid
CID 86615162

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid (CID 68690983) is (2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid is CN1CCC(N2CCCC[C@H]2C(=O)O)CC1.
What is the InChIKey of (2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is FRFHGSFKSJQOMO-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-8-5-10(6-9-13)14-7-3-2-4-11(14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid?
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 68690983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).