4-(3-aminopiperidin-1-yl)benzoic acid

C12H16N2O2 — CID 62232198

IUPAC4-(3-aminopiperidin-1-yl)benzoic acid
SMILESNC1CCCN(c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C12H16N2O2/c13-10-2-1-7-14(8-10)11-5-3-9(4-6-11)12(15)16/h3-6,10H,1-2,7-8,13H2,(H,15,16)
InChIKeySSOUTMUMAUDYCZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.31
Rot. Bonds2

About 4-(3-aminopiperidin-1-yl)benzoic acid

4-(3-aminopiperidin-1-yl)benzoic acid (PubChem CID 62232198) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(3-aminopiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-aminopiperidin-1-yl)benzoic acid
PubChem CID62232198
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(3-aminopiperidin-1-yl)benzoic acid
SMILESNC1CCCN(c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C12H16N2O2/c13-10-2-1-7-14(8-10)11-5-3-9(4-6-11)12(15)16/h3-6,10H,1-2,7-8,13H2,(H,15,16)
InChIKeySSOUTMUMAUDYCZ-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-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
CID 94373368
4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)benzoic acid
CID 63150848
4-(3-aminopyrrolidin-1-yl)benzoyl chloride
CID 163480008
4-(3-aminopiperidin-1-yl)-3-methylbenzoic acid
CID 63212722
4-(3,4-dihydroxypyrrolidin-1-yl)benzoic acid
CID 106669870
1-[4-(methylamino)phenyl]piperidin-3-amine
CID 171622540
1-(4-methylphenyl)azepan-3-amine
CID 84672656
4-(2-aminomorpholin-4-yl)benzoic acid
CID 174676626
4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride
CID 166607137
(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 102986553

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidin-1-yl)benzoic acid?
The IUPAC name of 4-(3-aminopiperidin-1-yl)benzoic acid (CID 62232198) is 4-(3-aminopiperidin-1-yl)benzoic acid.
What is the SMILES notation for 4-(3-aminopiperidin-1-yl)benzoic acid?
The canonical SMILES for 4-(3-aminopiperidin-1-yl)benzoic acid is NC1CCCN(c2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-(3-aminopiperidin-1-yl)benzoic acid?
The InChIKey is SSOUTMUMAUDYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-2-1-7-14(8-10)11-5-3-9(4-6-11)12(15)16/h3-6,10H,1-2,7-8,13H2,(H,15,16).
What are the key properties of 4-(3-aminopiperidin-1-yl)benzoic acid?
4-(3-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-(3-aminopiperidin-1-yl)benzoic acid is sourced from PubChem (CID 62232198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).