1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid

C16H25N3O2 — CID 174808525

IUPAC1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid
SMILESCC(C)(C)N(Cc1ccccn1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)19(12-14-6-4-5-9-17-14)18-10-7-13(8-11-18)15(20)21/h4-6,9,13H,7-8,10-12H2,1-3H3,(H,20,21)
InChIKeyBTDGJDPFTRNUHB-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.39
Rot. Bonds4

About 1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid

1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid (PubChem CID 174808525) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid
PubChem CID174808525
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid
SMILESCC(C)(C)N(Cc1ccccn1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)19(12-14-6-4-5-9-17-14)18-10-7-13(8-11-18)15(20)21/h4-6,9,13H,7-8,10-12H2,1-3H3,(H,20,21)
InChIKeyBTDGJDPFTRNUHB-UHFFFAOYSA-N
XLogP2.39
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858938
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112
1-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 86824162
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
3-methyl-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781852
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 114991932
4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid
CID 69023524
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid
CID 62657041
2-amino-N-cyclopropyl-3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide
CID 76895282
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 71649612

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid?
The IUPAC name of 1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid (CID 174808525) is 1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid is CC(C)(C)N(Cc1ccccn1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid?
The InChIKey is BTDGJDPFTRNUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)19(12-14-6-4-5-9-17-14)18-10-7-13(8-11-18)15(20)21/h4-6,9,13H,7-8,10-12H2,1-3H3,(H,20,21).
What are the key properties of 1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid?
1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid is sourced from PubChem (CID 174808525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).