4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid

C14H21N3O2 — CID 81244666

IUPAC4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCCC(C)N1CCN(c2ccncc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-3-11(2)16-6-8-17(9-7-16)13-4-5-15-10-12(13)14(18)19/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyDNCBKEQDOLCECE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.70
Rot. Bonds4

About 4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid

4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 81244666) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID81244666
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCCC(C)N1CCN(c2ccncc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-3-11(2)16-6-8-17(9-7-16)13-4-5-15-10-12(13)14(18)19/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyDNCBKEQDOLCECE-UHFFFAOYSA-N
XLogP1.70
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-tert-butylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81233072
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 81232649
1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105073744
(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105066571
(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 105069851
4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81244268
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 81244824
2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide
CID 62900431
2-(4-butan-2-ylpiperazin-1-yl)-6-chlorobenzoic acid
CID 62773833
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81243873
4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
CID 133443019
4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid
CID 114410062

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 81244666) is 4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid is CCC(C)N1CCN(c2ccncc2C(=O)O)CC1.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is DNCBKEQDOLCECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-11(2)16-6-8-17(9-7-16)13-4-5-15-10-12(13)14(18)19/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid?
4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81244666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).