benzyl 1-benzylpiperidine-4-carboxylate

C20H23NO2 — CID 18919846

IUPACbenzyl 1-benzylpiperidine-4-carboxylate
SMILESO=C(OCc1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO2/c22-20(23-16-18-9-5-2-6-10-18)19-11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2
InChIKeyAXZWRILBLYRECQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.64
Rot. Bonds5

About benzyl 1-benzylpiperidine-4-carboxylate

benzyl 1-benzylpiperidine-4-carboxylate (PubChem CID 18919846) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is benzyl 1-benzylpiperidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-benzylpiperidine-4-carboxylate
PubChem CID18919846
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namebenzyl 1-benzylpiperidine-4-carboxylate
SMILESO=C(OCc1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO2/c22-20(23-16-18-9-5-2-6-10-18)19-11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2
InChIKeyAXZWRILBLYRECQ-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 1-benzylpiperidine-4-carboxylate?
The IUPAC name of benzyl 1-benzylpiperidine-4-carboxylate (CID 18919846) is benzyl 1-benzylpiperidine-4-carboxylate.
What is the SMILES notation for benzyl 1-benzylpiperidine-4-carboxylate?
The canonical SMILES for benzyl 1-benzylpiperidine-4-carboxylate is O=C(OCc1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of benzyl 1-benzylpiperidine-4-carboxylate?
The InChIKey is AXZWRILBLYRECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-20(23-16-18-9-5-2-6-10-18)19-11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2.
What are the key properties of benzyl 1-benzylpiperidine-4-carboxylate?
benzyl 1-benzylpiperidine-4-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-benzylpiperidine-4-carboxylate is sourced from PubChem (CID 18919846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).