4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid

C10H16N2O2 — CID 66661129

IUPAC4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid
SMILESCCC1(CC#N)CCN(C(=O)O)CC1
InChIInChI=1S/C10H16N2O2/c1-2-10(3-6-11)4-7-12(8-5-10)9(13)14/h2-5,7-8H2,1H3,(H,13,14)
InChIKeyDGYNBVXARZLSKE-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.07
Rot. Bonds2

About 4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid

4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid (PubChem CID 66661129) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid
PubChem CID66661129
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid
SMILESCCC1(CC#N)CCN(C(=O)O)CC1
InChIInChI=1S/C10H16N2O2/c1-2-10(3-6-11)4-7-12(8-5-10)9(13)14/h2-5,7-8H2,1H3,(H,13,14)
InChIKeyDGYNBVXARZLSKE-UHFFFAOYSA-N
XLogP2.07
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-(cyanomethyl)-3-ethylpyrrolidine-1-carboxylate
CID 130137418
2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 155438562
1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 80591962
2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile
CID 145395186
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
2-(4,4-diethylpiperidine-1-carbonyl)-2-propylpentanenitrile
CID 63161683
3,3-diethyl-N-methylpyrrolidine-1-carboxamide
CID 115686572
tert-butyl 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-4-ethylpiperidine-1-carboxylate
CID 103916059
4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 174427602
4-ethylazepane-1,4-dicarboxylic acid
CID 123426716
ethyl 4-(cyanomethyl)-4-fluoropiperidine-1-carboxylate
CID 177326678
4-cyano-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylic acid
CID 118238467

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid (CID 66661129) is 4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid is CCC1(CC#N)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid?
The InChIKey is DGYNBVXARZLSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-10(3-6-11)4-7-12(8-5-10)9(13)14/h2-5,7-8H2,1H3,(H,13,14).
What are the key properties of 4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid?
4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid is sourced from PubChem (CID 66661129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).