1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine

C18H30N2 — CID 143453257

IUPAC1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine
SMILESCCCC(C)(C)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N2/c1-5-10-18(2,3)17-8-6-16(7-9-17)15-20-13-11-19(4)12-14-20/h6-9H,5,10-15H2,1-4H3
InChIKeyCNMXBGHBQOAZPT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.51
Rot. Bonds5

About 1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine

1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine (PubChem CID 143453257) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine
PubChem CID143453257
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine
SMILESCCCC(C)(C)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N2/c1-5-10-18(2,3)17-8-6-16(7-9-17)15-20-13-11-19(4)12-14-20/h6-9H,5,10-15H2,1-4H3
InChIKeyCNMXBGHBQOAZPT-UHFFFAOYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[4-[5-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-4-methylpiperazine
CID 126724901
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
N-(2,2-dimethylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 112721064
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane
CID 58332300
1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine
CID 112798089
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
4,13-bis[(4-bromophenyl)methyl]-7,16,21,24-tetramethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane
CID 166072778
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine (CID 143453257) is 1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine is CCCC(C)(C)c1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine?
The InChIKey is CNMXBGHBQOAZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-10-18(2,3)17-8-6-16(7-9-17)15-20-13-11-19(4)12-14-20/h6-9H,5,10-15H2,1-4H3.
What are the key properties of 1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine?
1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 143453257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).