1-(2-deuterioethyl)piperidine-2-carboxylic acid

C8H15NO2 — CID 139894502

IUPAC1-(2-deuterioethyl)piperidine-2-carboxylic acid
SMILES[2H]CCN1CCCCC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-9-6-4-3-5-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)/i1D
InChIKeyYTPIYJQYZRVUHW-MICDWDOJSA-N
MW158.22 g/mol
LogP0.95
Rot. Bonds3

About 1-(2-deuterioethyl)piperidine-2-carboxylic acid

1-(2-deuterioethyl)piperidine-2-carboxylic acid (PubChem CID 139894502) has the molecular formula C8H15NO2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-(2-deuterioethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-deuterioethyl)piperidine-2-carboxylic acid
PubChem CID139894502
Molecular FormulaC8H15NO2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name1-(2-deuterioethyl)piperidine-2-carboxylic acid
SMILES[2H]CCN1CCCCC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-9-6-4-3-5-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)/i1D
InChIKeyYTPIYJQYZRVUHW-MICDWDOJSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid
CID 142681934
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
CID 66737893
CID 66737893
(2S)-1-(2,2-dimethylpropyl)piperidine-2-carboxylic acid
CID 139572604
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid
CID 43441382
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid
CID 43441253
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
(2R)-1-prop-2-ynylpiperidine-2-carboxylic acid
CID 28819925
1-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441016
1-prop-2-ynylazepane-2-carboxylic acid
CID 64563153
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021

Frequently Asked Questions

What is the IUPAC name of 1-(2-deuterioethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-deuterioethyl)piperidine-2-carboxylic acid (CID 139894502) is 1-(2-deuterioethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-deuterioethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-deuterioethyl)piperidine-2-carboxylic acid is [2H]CCN1CCCCC1C(=O)O.
What is the InChIKey of 1-(2-deuterioethyl)piperidine-2-carboxylic acid?
The InChIKey is YTPIYJQYZRVUHW-MICDWDOJSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-9-6-4-3-5-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)/i1D.
What are the key properties of 1-(2-deuterioethyl)piperidine-2-carboxylic acid?
1-(2-deuterioethyl)piperidine-2-carboxylic acid has a molecular weight of 158.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-deuterioethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 139894502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).