2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid

C15H20N2O2 — CID 82582144

IUPAC2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C1CCNCC1)CC2
InChIInChI=1S/C15H20N2O2/c18-15(19)12-2-1-11-5-8-17(10-13(11)9-12)14-3-6-16-7-4-14/h1-2,9,14,16H,3-8,10H2,(H,18,19)
InChIKeyWVBCIGBMJQVAMX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.49
Rot. Bonds2

About 2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid

2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid (PubChem CID 82582144) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
PubChem CID82582144
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C1CCNCC1)CC2
InChIInChI=1S/C15H20N2O2/c18-15(19)12-2-1-11-5-8-17(10-13(11)9-12)14-3-6-16-7-4-14/h1-2,9,14,16H,3-8,10H2,(H,18,19)
InChIKeyWVBCIGBMJQVAMX-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone
CID 82164009
2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999757
2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999984
methyl 2-cyclopentyl-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 82582498
2-cyclohex-2-en-1-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 139020274
2-(oxan-3-yl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107135412
1-piperidin-4-ylindole-6-carboxylic acid
CID 59439473
N-[2-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide
CID 25298907
2-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999777
2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 138530633
4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030660
2-[4-(trifluoromethyl)cyclohexyl]spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-carboxylic acid
CID 147045437

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid?
The IUPAC name of 2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid (CID 82582144) is 2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid.
What is the SMILES notation for 2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid?
The canonical SMILES for 2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)CN(C1CCNCC1)CC2.
What is the InChIKey of 2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid?
The InChIKey is WVBCIGBMJQVAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19)12-2-1-11-5-8-17(10-13(11)9-12)14-3-6-16-7-4-14/h1-2,9,14,16H,3-8,10H2,(H,18,19).
What are the key properties of 2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid?
2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid is sourced from PubChem (CID 82582144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).