1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine

C17H28N2 — CID 173108524

IUPAC1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine
SMILESCC(C)c1ccc(N2CCNCC2)c(C(C)(C)C)c1
InChIInChI=1S/C17H28N2/c1-13(2)14-6-7-16(15(12-14)17(3,4)5)19-10-8-18-9-11-19/h6-7,12-13,18H,8-11H2,1-5H3
InChIKeyGALVDEWLWTYIRF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds2

About 1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine

1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine (PubChem CID 173108524) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine
PubChem CID173108524
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine
SMILESCC(C)c1ccc(N2CCNCC2)c(C(C)(C)C)c1
InChIInChI=1S/C17H28N2/c1-13(2)14-6-7-16(15(12-14)17(3,4)5)19-10-8-18-9-11-19/h6-7,12-13,18H,8-11H2,1-5H3
InChIKeyGALVDEWLWTYIRF-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine
CID 115051073
N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline
CID 138530542
(2-piperazin-1-yl-5-propan-2-ylphenyl)methanol
CID 138530373
1-(2-nitro-4-propan-2-ylphenyl)piperazine
CID 146771936
1-(2-tert-butyl-4-nitrophenyl)piperazine
CID 139271864
1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine
CID 115033526
1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine
CID 138530462
1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
CID 21363835
2-piperazin-1-yl-6-propan-2-ylquinoline
CID 82166087
2-tert-butyl-4-propan-2-ylphenol
CID 24240
2-tert-butyl-1-chloro-4-propan-2-ylbenzene
CID 59135167
1-[2-bromo-4-(1-fluoroethyl)phenyl]-1,4-diazepane
CID 115053441

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine?
The IUPAC name of 1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine (CID 173108524) is 1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine?
The canonical SMILES for 1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine is CC(C)c1ccc(N2CCNCC2)c(C(C)(C)C)c1.
What is the InChIKey of 1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine?
The InChIKey is GALVDEWLWTYIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)14-6-7-16(15(12-14)17(3,4)5)19-10-8-18-9-11-19/h6-7,12-13,18H,8-11H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine?
1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 173108524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).