4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid

C15H19NO3 — CID 107150090

IUPAC4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid
SMILESO=C(O)C1(N2CCCCC2)COCc2ccccc21
InChIInChI=1S/C15H19NO3/c17-14(18)15(16-8-4-1-5-9-16)11-19-10-12-6-2-3-7-13(12)15/h2-3,6-7H,1,4-5,8-11H2,(H,17,18)
InChIKeyBSKKEQFTMSPSOZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.98
Rot. Bonds2

About 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid

4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid (PubChem CID 107150090) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid.

Molecular Properties

Compound Name4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid
PubChem CID107150090
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid
SMILESO=C(O)C1(N2CCCCC2)COCc2ccccc21
InChIInChI=1S/C15H19NO3/c17-14(18)15(16-8-4-1-5-9-16)11-19-10-12-6-2-3-7-13(12)15/h2-3,6-7H,1,4-5,8-11H2,(H,17,18)
InChIKeyBSKKEQFTMSPSOZ-UHFFFAOYSA-N
XLogP1.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid
CID 43803284
5-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 61342915
4-(propylamino)-1,3-dihydroisochromene-4-carboxylic acid
CID 107149818
4-[acetyl(methyl)amino]-1,3-dihydroisochromene-4-carboxylic acid
CID 107149881
4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid
CID 107150454
3-methyl-4-pyrrolidin-1-yl-2,3-dihydrochromene-4-carboxylic acid
CID 104524669
4-(phenylmethoxycarbonylamino)-1,3-dihydroisochromene-4-carboxylic acid
CID 107149890
1-fluoro-3H-2-benzofuran-1-carboxylic acid
CID 70573707
1-(azepan-1-yl)-6-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 79371967
2-chloro-N-[4-(hydroxymethyl)-1,3-dihydroisochromen-4-yl]acetamide
CID 122622134
3-piperidin-1-yloxetane-3-carboxylic acid
CID 105441554
1-(3-phenyloxetan-3-yl)piperidine
CID 141379975

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid?
The IUPAC name of 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid (CID 107150090) is 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid.
What is the SMILES notation for 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid?
The canonical SMILES for 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid is O=C(O)C1(N2CCCCC2)COCc2ccccc21.
What is the InChIKey of 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid?
The InChIKey is BSKKEQFTMSPSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(18)15(16-8-4-1-5-9-16)11-19-10-12-6-2-3-7-13(12)15/h2-3,6-7H,1,4-5,8-11H2,(H,17,18).
What are the key properties of 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid?
4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid is sourced from PubChem (CID 107150090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).