(4-tert-butylphenyl)methyl piperazine-1-carboxylate

C16H24N2O2 — CID 69141163

IUPAC(4-tert-butylphenyl)methyl piperazine-1-carboxylate
SMILESCC(C)(C)c1ccc(COC(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)14-6-4-13(5-7-14)12-20-15(19)18-10-8-17-9-11-18/h4-7,17H,8-12H2,1-3H3
InChIKeyKRTWVQBLHQVULU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.53
Rot. Bonds2

About (4-tert-butylphenyl)methyl piperazine-1-carboxylate

(4-tert-butylphenyl)methyl piperazine-1-carboxylate (PubChem CID 69141163) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl piperazine-1-carboxylate.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl piperazine-1-carboxylate
PubChem CID69141163
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(4-tert-butylphenyl)methyl piperazine-1-carboxylate
SMILESCC(C)(C)c1ccc(COC(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)14-6-4-13(5-7-14)12-20-15(19)18-10-8-17-9-11-18/h4-7,17H,8-12H2,1-3H3
InChIKeyKRTWVQBLHQVULU-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxyphenyl)methyl piperazine-1-carboxylate
CID 141088102
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
[4-methyl-3-(trifluoromethyl)phenyl]methyl piperazine-1-carboxylate
CID 66720556
[3,5-bis(trifluoromethyl)phenyl]methyl piperazine-1-carboxylate
CID 87123270
[4-(trifluoromethoxy)phenyl]methyl 1,4-diazepane-1-carboxylate
CID 91165580
(3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate
CID 66720576
(3-methoxyphenyl)methyl piperazine-1-carboxylate
CID 69142530
[4-chloro-3-(trifluoromethoxy)phenyl]methyl piperazine-1-carboxylate
CID 66720697
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
dibenzyl 4-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
CID 174203438
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3,3-dimethylpiperazine-1-carboxylate
CID 51358536

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methyl piperazine-1-carboxylate?
The IUPAC name of (4-tert-butylphenyl)methyl piperazine-1-carboxylate (CID 69141163) is (4-tert-butylphenyl)methyl piperazine-1-carboxylate.
What is the SMILES notation for (4-tert-butylphenyl)methyl piperazine-1-carboxylate?
The canonical SMILES for (4-tert-butylphenyl)methyl piperazine-1-carboxylate is CC(C)(C)c1ccc(COC(=O)N2CCNCC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)methyl piperazine-1-carboxylate?
The InChIKey is KRTWVQBLHQVULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)14-6-4-13(5-7-14)12-20-15(19)18-10-8-17-9-11-18/h4-7,17H,8-12H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)methyl piperazine-1-carboxylate?
(4-tert-butylphenyl)methyl piperazine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl piperazine-1-carboxylate is sourced from PubChem (CID 69141163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).