1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine

C17H28N2 — CID 134243219

IUPAC1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine
SMILESCC(C)[C@@H](C)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)15(3)17-7-5-16(6-8-17)13-19-11-9-18(4)10-12-19/h5-8,14-15H,9-13H2,1-4H3/t15-/m1/s1
InChIKeyDCLBQJMRNXUKRF-OAHLLOKOSA-N
MW260.43 g/mol
LogP3.19
Rot. Bonds4

About 1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine

1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine (PubChem CID 134243219) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine
PubChem CID134243219
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine
SMILESCC(C)[C@@H](C)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)15(3)17-7-5-16(6-8-17)13-19-11-9-18(4)10-12-19/h5-8,14-15H,9-13H2,1-4H3/t15-/m1/s1
InChIKeyDCLBQJMRNXUKRF-OAHLLOKOSA-N
XLogP3.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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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
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
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CID 145147201

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine (CID 134243219) is 1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine is CC(C)[C@@H](C)c1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine?
The InChIKey is DCLBQJMRNXUKRF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)15(3)17-7-5-16(6-8-17)13-19-11-9-18(4)10-12-19/h5-8,14-15H,9-13H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine?
1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine is sourced from PubChem (CID 134243219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).