1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid

C10H16N2O2 — CID 63136599

IUPAC1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC(C#N)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C10H16N2O2/c1-8(6-11)12-5-3-4-10(2,7-12)9(13)14/h8H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyWPDKBDXFRMAMAC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.09
Rot. Bonds2

About 1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid

1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136599) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63136599
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC(C#N)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C10H16N2O2/c1-8(6-11)12-5-3-4-10(2,7-12)9(13)14/h8H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyWPDKBDXFRMAMAC-UHFFFAOYSA-N
XLogP1.09
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
CID 65068812
3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
CID 65068571
3-methyl-1-propan-2-ylsulfinylpiperidine-3-carboxylic acid
CID 131182189
1-(1-cyanopropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147887
3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 65068572
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3-methylpiperidine-3-carboxylic acid
CID 63136783
3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid
CID 63136330
3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 55164154
3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 65068628
1-amino-3-methylpiperidine-3-carboxylic acid
CID 151231433
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068532
1-[1-cyanopropan-2-yl(methyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63228492

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid (CID 63136599) is 1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid is CC(C#N)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is WPDKBDXFRMAMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(6-11)12-5-3-4-10(2,7-12)9(13)14/h8H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of 1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid?
1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).