1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid

C13H18N2O2 — CID 69043416

IUPAC1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid
SMILESCc1cc(N)ccc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H18N2O2/c1-9-8-11(14)2-3-12(9)15-6-4-10(5-7-15)13(16)17/h2-3,8,10H,4-7,14H2,1H3,(H,16,17)
InChIKeyZJNXQDHEEUHXMQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.88
Rot. Bonds2

About 1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid

1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid (PubChem CID 69043416) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid
PubChem CID69043416
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid
SMILESCc1cc(N)ccc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H18N2O2/c1-9-8-11(14)2-3-12(9)15-6-4-10(5-7-15)13(16)17/h2-3,8,10H,4-7,14H2,1H3,(H,16,17)
InChIKeyZJNXQDHEEUHXMQ-UHFFFAOYSA-N
XLogP1.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.88
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyano-2-methylphenyl)piperidine-4-carboxylic acid
CID 55025142
1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxylic acid
CID 82537845
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]carbamate
CID 142621531
4-[4-(azetidin-1-yl)piperidin-1-yl]-3-methylaniline
CID 142621533
4-(4-cyclopropylpiperazin-1-yl)-3-methylaniline
CID 61440602
3-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 62200933
1-(5-amino-2-nitrophenyl)piperidine-4-carboxylic acid
CID 120963881
4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 175516280
1-[4-(4-amino-2-methylphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 82533841
ethane;3-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 170593153
3-methyl-4-morpholin-4-ylaniline
CID 10607787
5-amino-2-(4-propan-2-ylpiperidin-1-yl)benzoic acid
CID 12784702

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid (CID 69043416) is 1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid is Cc1cc(N)ccc1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid?
The InChIKey is ZJNXQDHEEUHXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-11(14)2-3-12(9)15-6-4-10(5-7-15)13(16)17/h2-3,8,10H,4-7,14H2,1H3,(H,16,17).
What are the key properties of 1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid?
1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 69043416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).