4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid

C15H23N3O2 — CID 63881276

IUPAC4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)N1CCN(Cc2ccnc(C(=O)O)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)18-8-6-17(7-9-18)11-12-4-5-16-13(10-12)14(19)20/h4-5,10H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyLTHZCKKVZBLSOH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.70
Rot. Bonds3

About 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid

4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 63881276) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID63881276
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)N1CCN(Cc2ccnc(C(=O)O)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)18-8-6-17(7-9-18)11-12-4-5-16-13(10-12)14(19)20/h4-5,10H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyLTHZCKKVZBLSOH-UHFFFAOYSA-N
XLogP1.70
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62464864
4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883219
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid
CID 63883208
4-[(4-tert-butylpiperazin-1-yl)methyl]benzoic acid
CID 61432695
4-(1,4-oxazepan-4-ylmethyl)pyridine-2-carboxylic acid
CID 63884770
4-(tert-butylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63883811
1-benzyl-4-tert-butylpiperazine
CID 3591937
4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
CID 139035417
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63885544
4-[(4-acetyl-1,4-diazepan-1-yl)methyl]pyridine-2-carbothioamide
CID 63881119
2-bromo-4-[(4-tert-butylpiperazin-1-yl)methyl]phenol
CID 115282413
4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883370

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid (CID 63881276) is 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid is CC(C)(C)N1CCN(Cc2ccnc(C(=O)O)c2)CC1.
What is the InChIKey of 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is LTHZCKKVZBLSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)18-8-6-17(7-9-18)11-12-4-5-16-13(10-12)14(19)20/h4-5,10H,6-9,11H2,1-3H3,(H,19,20).
What are the key properties of 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid?
4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63881276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).