tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate

C19H30N2O2 — CID 134787667

IUPACtert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CNC(Cc2ccccc2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-14(2)17-12-20-16(11-15-9-7-6-8-10-15)13-21(17)18(22)23-19(3,4)5/h6-10,14,16-17,20H,11-13H2,1-5H3
InChIKeyZPYPTOUZMLALIV-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.46
Rot. Bonds3

About tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate

tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate (PubChem CID 134787667) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate
PubChem CID134787667
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CNC(Cc2ccccc2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-14(2)17-12-20-16(11-15-9-7-6-8-10-15)13-21(17)18(22)23-19(3,4)5/h6-10,14,16-17,20H,11-13H2,1-5H3
InChIKeyZPYPTOUZMLALIV-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-carbamic acid tert-butyl ester
CID 3217175
Ethyl 4-[(phenylacetyl)amino]piperidine-1-carboxylate
CID 5127120
Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate
CID 664250
Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
3-(Dimethylamino)butyl 3-phenylpropylcarbamate
CID 44570057
Tert-Butyl {(2s)-1-[formyl(Hydroxy)amino]-3-Phenylpropan-2-Yl}carbamate
CID 9835766
{4-Oxo-4-[4-(3-phenyl-propyl)-piperazin-1-yl]-butyl}-carbamic acid tert-butyl ester
CID 10691769
Ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
CID 783518
Methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
N-Phenethyl-N'-(2,2,6,6-tetramethyl-piperidin-4-yl)-oxalamide
CID 1875372
Ethyl 4-[(3-phenylpropanoyl)amino]piperidine-1-carboxylate
CID 4566793
N-[2-(dimethylamino)ethyl]-3-[1-(1-methyl-3-phenylpropyl)piperidin-4-yl]propanamide
CID 23723520

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate (CID 134787667) is tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate is CC(C)C1CNC(Cc2ccccc2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is ZPYPTOUZMLALIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(2)17-12-20-16(11-15-9-7-6-8-10-15)13-21(17)18(22)23-19(3,4)5/h6-10,14,16-17,20H,11-13H2,1-5H3.
What are the key properties of tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate?
tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 134787667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).