4-(3-aminophenyl)piperidine-4-carboxylic acid

C12H16N2O2 — CID 103194003

IUPAC4-(3-aminophenyl)piperidine-4-carboxylic acid
SMILESNc1cccc(C2(C(=O)O)CCNCC2)c1
InChIInChI=1S/C12H16N2O2/c13-10-3-1-2-9(8-10)12(11(15)16)4-6-14-7-5-12/h1-3,8,14H,4-7,13H2,(H,15,16)
InChIKeyVLSVOZSTHRYZBZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.97
Rot. Bonds2

About 4-(3-aminophenyl)piperidine-4-carboxylic acid

4-(3-aminophenyl)piperidine-4-carboxylic acid (PubChem CID 103194003) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(3-aminophenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminophenyl)piperidine-4-carboxylic acid
PubChem CID103194003
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(3-aminophenyl)piperidine-4-carboxylic acid
SMILESNc1cccc(C2(C(=O)O)CCNCC2)c1
InChIInChI=1S/C12H16N2O2/c13-10-3-1-2-9(8-10)12(11(15)16)4-6-14-7-5-12/h1-3,8,14H,4-7,13H2,(H,15,16)
InChIKeyVLSVOZSTHRYZBZ-UHFFFAOYSA-N
XLogP0.97
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-3-oxocyclobutane-1-carboxylic acid;hydrochloride
CID 171364010
4-(3-bromophenyl)piperidine-4-carboxamide
CID 82307410
1-azabicyclo[2.2.2]octane;4-phenylpiperidine-4-carboxylic acid
CID 145196382
(4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone
CID 116561844
4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one
CID 116561914
1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 84794422
1-(4-phenylpiperidin-4-yl)hex-4-yn-1-one
CID 116561927
4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid
CID 82086541
4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 82803603
3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline
CID 174310706
1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
CID 110491033
4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one
CID 116561839

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-aminophenyl)piperidine-4-carboxylic acid (CID 103194003) is 4-(3-aminophenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-aminophenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-aminophenyl)piperidine-4-carboxylic acid is Nc1cccc(C2(C(=O)O)CCNCC2)c1.
What is the InChIKey of 4-(3-aminophenyl)piperidine-4-carboxylic acid?
The InChIKey is VLSVOZSTHRYZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-3-1-2-9(8-10)12(11(15)16)4-6-14-7-5-12/h1-3,8,14H,4-7,13H2,(H,15,16).
What are the key properties of 4-(3-aminophenyl)piperidine-4-carboxylic acid?
4-(3-aminophenyl)piperidine-4-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 103194003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).