benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate

C17H26N2O2 — CID 110290734

IUPACbenzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate
SMILESCC(C)(C)CN1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)14-18-9-11-19(12-10-18)16(20)21-13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyMDHJCRIVCUBQHS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.99
Rot. Bonds3

About benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate

benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate (PubChem CID 110290734) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate
PubChem CID110290734
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namebenzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate
SMILESCC(C)(C)CN1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)14-18-9-11-19(12-10-18)16(20)21-13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyMDHJCRIVCUBQHS-UHFFFAOYSA-N
XLogP2.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl aziridine-1-carboxylate;silane
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benzyl 4-(1-amino-2-methyl-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 122428094
benzyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 69162546
benzyl 4-pentylpiperazine-1-carboxylate
CID 20795377
benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate
CID 167628584
CID 143025575
CID 143025575
2-methyl-2-(4-phenylmethoxycarbonyl-1,4-diazepan-1-yl)propanoic acid
CID 167730556
benzyl 4,7,10-tris[2-(ethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 58987158
benzyl piperidine-1-carboxylate
CID 158057698
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CID 155677833

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate (CID 110290734) is benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate is CC(C)(C)CN1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate?
The InChIKey is MDHJCRIVCUBQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)14-18-9-11-19(12-10-18)16(20)21-13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3.
What are the key properties of benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate?
benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 110290734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).