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

C20H25NO3 — CID 155075561

IUPAC2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OC(C)(C)C3CCNCC3)ccc2c1
InChIInChI=1S/C20H25NO3/c1-20(2,17-8-10-21-11-9-17)24-19(22)16-5-4-15-13-18(23-3)7-6-14(15)12-16/h4-7,12-13,17,21H,8-11H2,1-3H3
InChIKeyOQSYRBKKAHMLOH-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.78
Rot. Bonds4

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

2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate (PubChem CID 155075561) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate
PubChem CID155075561
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OC(C)(C)C3CCNCC3)ccc2c1
InChIInChI=1S/C20H25NO3/c1-20(2,17-8-10-21-11-9-17)24-19(22)16-5-4-15-13-18(23-3)7-6-14(15)12-16/h4-7,12-13,17,21H,8-11H2,1-3H3
InChIKeyOQSYRBKKAHMLOH-UHFFFAOYSA-N
XLogP3.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate
CID 155075746
2-piperidin-1-ium-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate
CID 167315052
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
2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate
CID 155075742
bis(2-piperidin-4-ylpropan-2-yl) 5-bromobenzene-1,3-dicarboxylate
CID 155605297
2-cyclohexylpropan-2-yl 3-methoxybenzoate
CID 139665824
2-piperidin-4-ylpropan-2-yl 4-methyl-3-nitrobenzoate
CID 155605324
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 4-methoxybenzoate
CID 154628440
2-piperidin-4-ylpropan-2-yl 2,5-dihydroxybenzoate
CID 155075349

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate (CID 155075561) is 2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate is COc1ccc2cc(C(=O)OC(C)(C)C3CCNCC3)ccc2c1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate?
The InChIKey is OQSYRBKKAHMLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2,17-8-10-21-11-9-17)24-19(22)16-5-4-15-13-18(23-3)7-6-14(15)12-16/h4-7,12-13,17,21H,8-11H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate?
2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate has a molecular weight of 327.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 155075561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).