1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine

C18H30N2 — CID 176933716

IUPAC1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine
SMILESCc1ccc(C(C)C)cc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C18H30N2/c1-14(2)13-19-8-10-20(11-9-19)18-12-17(15(3)4)7-6-16(18)5/h6-7,12,14-15H,8-11,13H2,1-5H3
InChIKeyPKLZYKFKAGQDMF-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.90
Rot. Bonds4

About 1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine

1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine (PubChem CID 176933716) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine
PubChem CID176933716
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine
SMILESCc1ccc(C(C)C)cc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C18H30N2/c1-14(2)13-19-8-10-20(11-9-19)18-12-17(15(3)4)7-6-16(18)5/h6-7,12,14-15H,8-11,13H2,1-5H3
InChIKeyPKLZYKFKAGQDMF-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(chloromethyl)-2-methylphenyl]-4-(2-methylpropyl)piperazine
CID 62775865
(1S)-1-[3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940987
3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
CID 134251990
(1S)-1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940984
1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
CID 62911018
ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol
CID 176665263
1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 62777793
(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
CID 63368809
1-(2-fluoro-4-isocyanophenyl)-4-(2-methylpropyl)piperazine
CID 164836679
1-[4-[2-hydroxy-3-(2-methyl-5-propan-2-ylphenoxy)propyl]piperazin-1-yl]-3-(2-methyl-5-propan-2-ylphenoxy)propan-2-ol
CID 2951769
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methyl-5-propan-2-ylphenoxy)propyl]piperazin-1-yl]-3-(2-methyl-5-propan-2-ylphenoxy)propan-2-ol
CID 51629103
5-iodo-2-[4-(2-methylpropyl)piperazin-1-yl]aniline
CID 66080908

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine (CID 176933716) is 1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine is Cc1ccc(C(C)C)cc1N1CCN(CC(C)C)CC1.
What is the InChIKey of 1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine?
The InChIKey is PKLZYKFKAGQDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)13-19-8-10-20(11-9-19)18-12-17(15(3)4)7-6-16(18)5/h6-7,12,14-15H,8-11,13H2,1-5H3.
What are the key properties of 1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine?
1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 176933716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).