2-tert-butylpiperidine-1-carboxylic acid

C10H19NO2 — CID 57266074

IUPAC2-tert-butylpiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CCCCN1C(=O)O
InChIInChI=1S/C10H19NO2/c1-10(2,3)8-6-4-5-7-11(8)9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyUBWBVRSSIHWAQL-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.57
Rot. Bonds

About 2-tert-butylpiperidine-1-carboxylic acid

2-tert-butylpiperidine-1-carboxylic acid (PubChem CID 57266074) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-tert-butylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butylpiperidine-1-carboxylic acid
PubChem CID57266074
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-tert-butylpiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CCCCN1C(=O)O
InChIInChI=1S/C10H19NO2/c1-10(2,3)8-6-4-5-7-11(8)9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyUBWBVRSSIHWAQL-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethylpiperidine-1-carboxylic acid
CID 22500849
2,2-Dimethylpiperidine-1-carboxylic acid
CID 89852041
2-Tert-butyl-4-cyano-4-fluoropiperidine-1-carboxylic acid
CID 68428910
4-Amino-2-tert-butyl-3-fluoropiperidine-1-carboxylic acid
CID 117876721
(3S,4S)-4-azido-2-tert-butyl-3-fluoropiperidine-1-carboxylic acid
CID 121333753
2-Tert-butyl-2-fluoropiperidine-1-carboxylic acid
CID 149638788
2-Tert-butyl-4,4-difluoropiperidine-1-carboxylic acid
CID 160864551
2-Tert-butyl-3,3-difluoropiperidine-1-carboxylic acid
CID 161220301
4-(2-Tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid
CID 161292228
4-(Aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid
CID 172812029
2-Tert-butyl-3-fluoropiperidine-1-carboxylic acid
CID 175025963
2-Tert-butyl-5-fluoropiperidine-1-carboxylic acid
CID 175165053

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpiperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butylpiperidine-1-carboxylic acid (CID 57266074) is 2-tert-butylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butylpiperidine-1-carboxylic acid is CC(C)(C)C1CCCCN1C(=O)O.
What is the InChIKey of 2-tert-butylpiperidine-1-carboxylic acid?
The InChIKey is UBWBVRSSIHWAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)8-6-4-5-7-11(8)9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-tert-butylpiperidine-1-carboxylic acid?
2-tert-butylpiperidine-1-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpiperidine-1-carboxylic acid is sourced from PubChem (CID 57266074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).