1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid

C14H17N3O2 — CID 117011987

IUPAC1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid
SMILESCNC1(C(=O)O)CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C14H17N3O2/c1-16-14(13(18)19)6-8-17(9-7-14)12-4-2-11(10-15)3-5-12/h2-5,16H,6-9H2,1H3,(H,18,19)
InChIKeyUIKJHOYAECHFDC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.20
Rot. Bonds3

About 1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid

1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid (PubChem CID 117011987) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid
PubChem CID117011987
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid
SMILESCNC1(C(=O)O)CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C14H17N3O2/c1-16-14(13(18)19)6-8-17(9-7-14)12-4-2-11(10-15)3-5-12/h2-5,16H,6-9H2,1H3,(H,18,19)
InChIKeyUIKJHOYAECHFDC-UHFFFAOYSA-N
XLogP1.20
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-cyanophenyl)-4-propylpiperidine-4-carboxylic acid
CID 63126259
1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165697
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
1-(4-cyanoanilino)cyclopropane-1-carboxylic acid
CID 65451444
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile
CID 15940810
1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid
CID 63136635
[4-(4-cyanophenyl)piperazin-1-yl] acetate
CID 174978952
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
4-[4,4-dimethyl-3-(methylamino)piperidin-1-yl]benzonitrile
CID 117025382
methyl 2-[4-(4-cyanophenyl)piperazin-1-yl]acetate
CID 19391362
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
4-(methoxycarbonylamino)-1-phenylpiperidine-4-carboxylic acid
CID 167851958

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid (CID 117011987) is 1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid is CNC1(C(=O)O)CCN(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid?
The InChIKey is UIKJHOYAECHFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-14(13(18)19)6-8-17(9-7-14)12-4-2-11(10-15)3-5-12/h2-5,16H,6-9H2,1H3,(H,18,19).
What are the key properties of 1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid?
1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 117011987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).