benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate

C22H26N2O3 — CID 170567015

IUPACbenzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C2COC2)CC1Cc1ccccc1
InChIInChI=1S/C22H26N2O3/c25-22(27-15-19-9-5-2-6-10-19)24-12-11-23(21-16-26-17-21)14-20(24)13-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2
InChIKeyLQDVURKIWXFWJP-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.95
Rot. Bonds5

About benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate

benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate (PubChem CID 170567015) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate
PubChem CID170567015
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namebenzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C2COC2)CC1Cc1ccccc1
InChIInChI=1S/C22H26N2O3/c25-22(27-15-19-9-5-2-6-10-19)24-12-11-23(21-16-26-17-21)14-20(24)13-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2
InChIKeyLQDVURKIWXFWJP-UHFFFAOYSA-N
XLogP2.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
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benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate?
The IUPAC name of benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate (CID 170567015) is benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(C2COC2)CC1Cc1ccccc1.
What is the InChIKey of benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate?
The InChIKey is LQDVURKIWXFWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-22(27-15-19-9-5-2-6-10-19)24-12-11-23(21-16-26-17-21)14-20(24)13-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2.
What are the key properties of benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate?
benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 170567015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).