1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid

C16H22N2O2 — CID 82583105

IUPAC1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid
SMILESCC1CNCc2cccc(N3CCC(C(=O)O)CC3)c21
InChIInChI=1S/C16H22N2O2/c1-11-9-17-10-13-3-2-4-14(15(11)13)18-7-5-12(6-8-18)16(19)20/h2-4,11-12,17H,5-10H2,1H3,(H,19,20)
InChIKeySCULUOMIAOWYPK-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.19
Rot. Bonds2

About 1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid

1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid (PubChem CID 82583105) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid
PubChem CID82583105
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid
SMILESCC1CNCc2cccc(N3CCC(C(=O)O)CC3)c21
InChIInChI=1S/C16H22N2O2/c1-11-9-17-10-13-3-2-4-14(15(11)13)18-7-5-12(6-8-18)16(19)20/h2-4,11-12,17H,5-10H2,1H3,(H,19,20)
InChIKeySCULUOMIAOWYPK-UHFFFAOYSA-N
XLogP2.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
2,3,4,5-tetrahydro-1H-2-benzazepine-4-carboxylic acid;hydrobromide
CID 156758919
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584338
8-(4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114491149
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide
CID 82584968
3-methyl-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102780440
(3S)-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 81121194
4-cyclopropyl-13-methyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 73388555
methyl 5-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylate
CID 82585288
1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192731

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid (CID 82583105) is 1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid is CC1CNCc2cccc(N3CCC(C(=O)O)CC3)c21.
What is the InChIKey of 1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid?
The InChIKey is SCULUOMIAOWYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-9-17-10-13-3-2-4-14(15(11)13)18-7-5-12(6-8-18)16(19)20/h2-4,11-12,17H,5-10H2,1H3,(H,19,20).
What are the key properties of 1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid?
1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82583105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).