4-(4-aminopiperidin-1-yl)benzoic acid

C12H16N2O2 — CID 18617654

IUPAC4-(4-aminopiperidin-1-yl)benzoic acid
SMILESNC1CCN(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C12H16N2O2/c13-10-5-7-14(8-6-10)11-3-1-9(2-4-11)12(15)16/h1-4,10H,5-8,13H2,(H,15,16)
InChIKeyMNDXSKUJAFLWKY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.31
Rot. Bonds2

About 4-(4-aminopiperidin-1-yl)benzoic acid

4-(4-aminopiperidin-1-yl)benzoic acid (PubChem CID 18617654) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)benzoic acid
PubChem CID18617654
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(4-aminopiperidin-1-yl)benzoic acid
SMILESNC1CCN(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C12H16N2O2/c13-10-5-7-14(8-6-10)11-3-1-9(2-4-11)12(15)16/h1-4,10H,5-8,13H2,(H,15,16)
InChIKeyMNDXSKUJAFLWKY-UHFFFAOYSA-N
XLogP1.31
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
tert-butyl 4-(4-aminopiperidin-1-yl)benzoate
CID 22557720
4-(3-aminopiperidin-1-yl)benzoic acid
CID 62232198
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
4-(3,4-dihydroxypyrrolidin-1-yl)benzoic acid
CID 106669870
4-(3-aminopyrrolidin-1-yl)benzoyl chloride
CID 163480008
5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472
4-(4-decylpiperidin-1-yl)benzoic acid
CID 86127158
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
4-(4,4-dimethylpiperidin-1-yl)benzoic acid
CID 11535980
[4-(4-aminopiperidin-1-yl)phenyl]methanol
CID 124707256

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)benzoic acid?
The IUPAC name of 4-(4-aminopiperidin-1-yl)benzoic acid (CID 18617654) is 4-(4-aminopiperidin-1-yl)benzoic acid.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)benzoic acid?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)benzoic acid is NC1CCN(c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)benzoic acid?
The InChIKey is MNDXSKUJAFLWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-5-7-14(8-6-10)11-3-1-9(2-4-11)12(15)16/h1-4,10H,5-8,13H2,(H,15,16).
What are the key properties of 4-(4-aminopiperidin-1-yl)benzoic acid?
4-(4-aminopiperidin-1-yl)benzoic acid has a molecular weight of 220.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)benzoic acid is sourced from PubChem (CID 18617654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).