1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid

C23H24N2O2 — CID 5031418

IUPAC1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1C(c1cnc2ccccc2c1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C23H24N2O2/c1-16-6-2-4-8-20(16)22(25-12-10-17(11-13-25)23(26)27)19-14-18-7-3-5-9-21(18)24-15-19/h2-9,14-15,17,22H,10-13H2,1H3,(H,26,27)
InChIKeyWSHFHHRTEXNPCY-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.43
Rot. Bonds4

About 1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid

1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid (PubChem CID 5031418) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
PubChem CID5031418
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1C(c1cnc2ccccc2c1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C23H24N2O2/c1-16-6-2-4-8-20(16)22(25-12-10-17(11-13-25)23(26)27)19-14-18-7-3-5-9-21(18)24-15-19/h2-9,14-15,17,22H,10-13H2,1H3,(H,26,27)
InChIKeyWSHFHHRTEXNPCY-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-[naphthalen-1-yl(quinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 4602608
1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
CID 3953500
1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4043880
1-[1,3-benzodioxol-5-yl(quinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 4201859
1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4693784
1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3264947
1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5136944
1-[(4-ethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3572027
1-[(3,4-diethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4539522
1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3889238
1-[(2,4-difluorophenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid
CID 4588989
1-[(4-bromophenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5030053

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid (CID 5031418) is 1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid is Cc1ccccc1C(c1cnc2ccccc2c1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid?
The InChIKey is WSHFHHRTEXNPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16-6-2-4-8-20(16)22(25-12-10-17(11-13-25)23(26)27)19-14-18-7-3-5-9-21(18)24-15-19/h2-9,14-15,17,22H,10-13H2,1H3,(H,26,27).
What are the key properties of 1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid?
1-[(2-methylphenyl)-quinolin-3-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-3-ylmethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 5031418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).