2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid

C11H21NO2 — CID 117020314

IUPAC2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(C)N1CCC(C(=O)O)CC1(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)12-6-5-9(10(13)14)7-11(12,3)4/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyCVFJNLMQUBDZTB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds2

About 2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid

2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid (PubChem CID 117020314) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid
PubChem CID117020314
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(C)N1CCC(C(=O)O)CC1(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)12-6-5-9(10(13)14)7-11(12,3)4/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyCVFJNLMQUBDZTB-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid (CID 117020314) is 2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid is CC(C)N1CCC(C(=O)O)CC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid?
The InChIKey is CVFJNLMQUBDZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)12-6-5-9(10(13)14)7-11(12,3)4/h8-9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid?
2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-propan-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 117020314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).