(1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate

C25H27NO3 — CID 10715375

IUPAC(1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H27NO3/c1-28-24-16-22-10-6-5-9-21(22)15-23(24)25(27)29-18-20-11-13-26(14-12-20)17-19-7-3-2-4-8-19/h2-10,15-16,20H,11-14,17-18H2,1H3
InChIKeyAZPBLAHLAZJEKV-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.92
Rot. Bonds6

About (1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate

(1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate (PubChem CID 10715375) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate
PubChem CID10715375
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name(1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H27NO3/c1-28-24-16-22-10-6-5-9-21(22)15-23(24)25(27)29-18-20-11-13-26(14-12-20)17-19-7-3-2-4-8-19/h2-10,15-16,20H,11-14,17-18H2,1H3
InChIKeyAZPBLAHLAZJEKV-UHFFFAOYSA-N
XLogP4.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of (1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate (CID 10715375) is (1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for (1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for (1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate is COc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate?
The InChIKey is AZPBLAHLAZJEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-28-24-16-22-10-6-5-9-21(22)15-23(24)25(27)29-18-20-11-13-26(14-12-20)17-19-7-3-2-4-8-19/h2-10,15-16,20H,11-14,17-18H2,1H3.
What are the key properties of (1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate?
(1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)methyl 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 10715375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).