benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate

C17H24N2O3 — CID 71858020

IUPACbenzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(CC2CCOC2)CC1
InChIInChI=1S/C17H24N2O3/c20-17(22-14-15-4-2-1-3-5-15)19-9-7-18(8-10-19)12-16-6-11-21-13-16/h1-5,16H,6-14H2
InChIKeyVYRQGBABNSYGLP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.98
Rot. Bonds4

About benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate

benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate (PubChem CID 71858020) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
PubChem CID71858020
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namebenzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(CC2CCOC2)CC1
InChIInChI=1S/C17H24N2O3/c20-17(22-14-15-4-2-1-3-5-15)19-9-7-18(8-10-19)12-16-6-11-21-13-16/h1-5,16H,6-14H2
InChIKeyVYRQGBABNSYGLP-UHFFFAOYSA-N
XLogP1.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[[(1S,3R)-3-methylcyclohexyl]methyl]piperazine-1-carboxylate
CID 129292915
benzyl 4-[[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176761023
benzyl aziridine-1-carboxylate;silane
CID 158496499
1-O-benzyl 4-O-(oxan-4-ylmethyl) piperidine-1,4-dicarboxylate
CID 171065423
4-O-benzyl 1-O-[2-(oxan-4-yloxy)ethyl] piperazine-1,4-dicarboxylate
CID 58495785
benzyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]piperazine-1-carboxylate
CID 155677833
benzyl 3-[(4-methylpiperazin-1-yl)methyl]azetidine-1-carboxylate
CID 146640420
benzyl 4-(7-azaspiro[3.5]nonan-2-ylmethyl)piperazine-1-carboxylate
CID 165136917
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
1-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]azetidine-3-carboxylic acid
CID 167720546
benzyl 4-(oxetan-3-ylmethyl)-3-oxopiperazine-1-carboxylate
CID 177125116

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate (CID 71858020) is benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(CC2CCOC2)CC1.
What is the InChIKey of benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate?
The InChIKey is VYRQGBABNSYGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(22-14-15-4-2-1-3-5-15)19-9-7-18(8-10-19)12-16-6-11-21-13-16/h1-5,16H,6-14H2.
What are the key properties of benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate?
benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 71858020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).