2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid

C15H20N2O2 — CID 90105202

IUPAC2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
SMILESNc1ccc(N2CCC(C3CC3C(=O)O)CC2)cc1
InChIInChI=1S/C15H20N2O2/c16-11-1-3-12(4-2-11)17-7-5-10(6-8-17)13-9-14(13)15(18)19/h1-4,10,13-14H,5-9,16H2,(H,18,19)
InChIKeyDSKUNEOZLJLNJC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.21
Rot. Bonds3

About 2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid

2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 90105202) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID90105202
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
SMILESNc1ccc(N2CCC(C3CC3C(=O)O)CC2)cc1
InChIInChI=1S/C15H20N2O2/c16-11-1-3-12(4-2-11)17-7-5-10(6-8-17)13-9-14(13)15(18)19/h1-4,10,13-14H,5-9,16H2,(H,18,19)
InChIKeyDSKUNEOZLJLNJC-UHFFFAOYSA-N
XLogP2.21
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-azabicyclo[5.1.0]octan-4-yl)aniline
CID 70313854
1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 39446044
1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride
CID 174558359
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683
[4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone
CID 107174788
1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol
CID 159231607
1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 12011688
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
4-(4-methylsulfonylpiperidin-1-yl)aniline
CID 152771530
cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914
N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid
CID 70922477

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid (CID 90105202) is 2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid is Nc1ccc(N2CCC(C3CC3C(=O)O)CC2)cc1.
What is the InChIKey of 2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is DSKUNEOZLJLNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-11-1-3-12(4-2-11)17-7-5-10(6-8-17)13-9-14(13)15(18)19/h1-4,10,13-14H,5-9,16H2,(H,18,19).
What are the key properties of 2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid?
2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 90105202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).