methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate

C16H24N2O2 — CID 113076502

IUPACmethyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)13-7-5-6-8-14(13)17-9-11-18(12-10-17)15(19)20-4/h5-8H,9-12H2,1-4H3
InChIKeyTWCKCONJPSYSSN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.87
Rot. Bonds1

About methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate

methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate (PubChem CID 113076502) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
PubChem CID113076502
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)13-7-5-6-8-14(13)17-9-11-18(12-10-17)15(19)20-4/h5-8H,9-12H2,1-4H3
InChIKeyTWCKCONJPSYSSN-UHFFFAOYSA-N
XLogP2.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid
CID 46931248
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 91049311
4-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-methyl-4-oxobut-2-enamide
CID 66792788
N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide
CID 113103888
4-(2-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112616
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 113080518
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113076496
methyl 2-[4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl]acetate
CID 66792847
4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106291
[4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 66751030
1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride
CID 173045672

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate (CID 113076502) is methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate is COC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.
What is the InChIKey of methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate?
The InChIKey is TWCKCONJPSYSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)13-7-5-6-8-14(13)17-9-11-18(12-10-17)15(19)20-4/h5-8H,9-12H2,1-4H3.
What are the key properties of methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate?
methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 113076502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).