1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid

C23H30N2O2 — CID 3514597

IUPAC1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccc(N(C)C)cc2)N2CCC(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C23H30N2O2/c1-16-5-10-21(17(2)15-16)22(18-6-8-20(9-7-18)24(3)4)25-13-11-19(12-14-25)23(26)27/h5-10,15,19,22H,11-14H2,1-4H3,(H,26,27)
InChIKeyMHTCWVKUJQIHFU-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.26
Rot. Bonds5

About 1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid

1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3514597) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID3514597
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccc(N(C)C)cc2)N2CCC(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C23H30N2O2/c1-16-5-10-21(17(2)15-16)22(18-6-8-20(9-7-18)24(3)4)25-13-11-19(12-14-25)23(26)27/h5-10,15,19,22H,11-14H2,1-4H3,(H,26,27)
InChIKeyMHTCWVKUJQIHFU-UHFFFAOYSA-N
XLogP4.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 3564402
1-[(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4241880
1-[1,3-benzodioxol-5-yl-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 4241872
1-[(2,4-difluorophenyl)-[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylic acid
CID 4619215
1-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylic acid
CID 4019605
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3879435
1-[[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3477313
1-[(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylic acid
CID 4242263
1-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid
CID 5036000
1-[[4-(dimethylamino)phenyl]-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4539521
1-[(2,4-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3566266
1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 4241868

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid (CID 3514597) is 1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid is Cc1ccc(C(c2ccc(N(C)C)cc2)N2CCC(C(=O)O)CC2)c(C)c1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is MHTCWVKUJQIHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16-5-10-21(17(2)15-16)22(18-6-8-20(9-7-18)24(3)4)25-13-11-19(12-14-25)23(26)27/h5-10,15,19,22H,11-14H2,1-4H3,(H,26,27).
What are the key properties of 1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid?
1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 366.51 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3514597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).