2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate

C19H23NO3 — CID 155075746

IUPAC2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate
SMILESCC(C)(OC(=O)c1ccc2cc(O)ccc2c1)C1CCNCC1
InChIInChI=1S/C19H23NO3/c1-19(2,16-7-9-20-10-8-16)23-18(22)15-4-3-14-12-17(21)6-5-13(14)11-15/h3-6,11-12,16,20-21H,7-10H2,1-2H3
InChIKeyGIKWHOKPGRUWCX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.48
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate

2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate (PubChem CID 155075746) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate
PubChem CID155075746
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate
SMILESCC(C)(OC(=O)c1ccc2cc(O)ccc2c1)C1CCNCC1
InChIInChI=1S/C19H23NO3/c1-19(2,16-7-9-20-10-8-16)23-18(22)15-4-3-14-12-17(21)6-5-13(14)11-15/h3-6,11-12,16,20-21H,7-10H2,1-2H3
InChIKeyGIKWHOKPGRUWCX-UHFFFAOYSA-N
XLogP3.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate
CID 155075561
2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate
CID 155075349
2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate
CID 155075487
2-piperidin-4-ylpropan-2-yl 4-bromobenzoate
CID 155605413
bis(2-piperidin-4-ylpropan-2-yl) 4-bromobenzene-1,3-dicarboxylate
CID 155605322
2-piperidin-4-ylpropan-2-yl 4-bromo-3-methylbenzoate
CID 155605314
bis(2-piperidin-4-ylpropan-2-yl) 5-bromobenzene-1,3-dicarboxylate
CID 155605297
1-O-[2-[1-[4-[2-[3-hydroxy-5-(2-piperidin-4-ylpropan-2-yloxycarbonyl)benzoyl]oxypropan-2-yl]piperidin-1-yl]piperidin-4-yl]propan-2-yl] 2-O-(2-piperidin-4-ylpropan-2-yl) 4-hydroxybenzene-1,2-dicarboxylate
CID 170254980
2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate
CID 155075664
2-piperidin-4-ylpropan-2-yl 4-methyl-3-nitrobenzoate
CID 155605324
2-piperidin-4-ylpropan-2-yl 3-bromo-5-iodobenzoate
CID 154609259
2-piperidin-1-ium-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate
CID 167315052

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate (CID 155075746) is 2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate is CC(C)(OC(=O)c1ccc2cc(O)ccc2c1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate?
The InChIKey is GIKWHOKPGRUWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-19(2,16-7-9-20-10-8-16)23-18(22)15-4-3-14-12-17(21)6-5-13(14)11-15/h3-6,11-12,16,20-21H,7-10H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate?
2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 155075746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).