4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid

C15H22N2O2 — CID 81244268

IUPAC4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC(C)(C)C1CCN(c2ccncc2C(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)11-5-8-17(9-6-11)13-4-7-16-10-12(13)14(18)19/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,18,19)
InChIKeyBTZSTFVIXZXXBV-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.04
Rot. Bonds2

About 4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid

4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 81244268) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID81244268
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC(C)(C)C1CCN(c2ccncc2C(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)11-5-8-17(9-6-11)13-4-7-16-10-12(13)14(18)19/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,18,19)
InChIKeyBTZSTFVIXZXXBV-UHFFFAOYSA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide
CID 133471382
4-(4-tert-butylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81233072
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 81244824
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81243873
3-(4-tert-butylpiperidin-1-yl)pyridine-4-carbothioamide
CID 114288452
1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 83888249
4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 113402381
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 102958667
2-amino-3-(4-tert-butylpiperidin-1-yl)benzoic acid
CID 115545789
4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133470712
4-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133442039

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 81244268) is 4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid is CC(C)(C)C1CCN(c2ccncc2C(=O)O)CC1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is BTZSTFVIXZXXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)11-5-8-17(9-6-11)13-4-7-16-10-12(13)14(18)19/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,18,19).
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid?
4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81244268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).