1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid

C23H24N2O2 — CID 3264947

IUPAC1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1C(c1ccnc2ccccc12)N1CCC(C(=O)O)CC1
InChIInChI=1S/C23H24N2O2/c1-16-6-2-3-7-18(16)22(25-14-11-17(12-15-25)23(26)27)20-10-13-24-21-9-5-4-8-19(20)21/h2-10,13,17,22H,11-12,14-15H2,1H3,(H,26,27)
InChIKeyAXBXIEITFITKKT-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.43
Rot. Bonds4

About 1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid

1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid (PubChem CID 3264947) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
PubChem CID3264947
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1C(c1ccnc2ccccc12)N1CCC(C(=O)O)CC1
InChIInChI=1S/C23H24N2O2/c1-16-6-2-3-7-18(16)22(25-14-11-17(12-15-25)23(26)27)20-10-13-24-21-9-5-4-8-19(20)21/h2-10,13,17,22H,11-12,14-15H2,1H3,(H,26,27)
InChIKeyAXBXIEITFITKKT-UHFFFAOYSA-N
XLogP4.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3438294
1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3622367
1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5031418
1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5136944
1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4043880
1-[(2-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5007255
1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4693784
1-[(4-ethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3572027
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4019790
1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
CID 3875881
1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 4681970
1-[naphthalen-1-yl(quinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 4602608

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid (CID 3264947) is 1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid is Cc1ccccc1C(c1ccnc2ccccc12)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid?
The InChIKey is AXBXIEITFITKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16-6-2-3-7-18(16)22(25-14-11-17(12-15-25)23(26)27)20-10-13-24-21-9-5-4-8-19(20)21/h2-10,13,17,22H,11-12,14-15H2,1H3,(H,26,27).
What are the key properties of 1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid?
1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid has a molecular weight of 360.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3264947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).