1-benzyl-2-butan-2-yl-5-methylpiperazine

C16H26N2 — CID 64845112

IUPAC1-benzyl-2-butan-2-yl-5-methylpiperazine
SMILESCCC(C)C1CNC(C)CN1Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-4-13(2)16-10-17-14(3)11-18(16)12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,4,10-12H2,1-3H3
InChIKeyQYBZWCZFICBVRQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.89
Rot. Bonds4

About 1-benzyl-2-butan-2-yl-5-methylpiperazine

1-benzyl-2-butan-2-yl-5-methylpiperazine (PubChem CID 64845112) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-benzyl-2-butan-2-yl-5-methylpiperazine.

Molecular Properties

Compound Name1-benzyl-2-butan-2-yl-5-methylpiperazine
PubChem CID64845112
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-benzyl-2-butan-2-yl-5-methylpiperazine
SMILESCCC(C)C1CNC(C)CN1Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-4-13(2)16-10-17-14(3)11-18(16)12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,4,10-12H2,1-3H3
InChIKeyQYBZWCZFICBVRQ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine
CID 64845896
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine
CID 64844515
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine
CID 64844318
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
1-[(3-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844307
2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine
CID 64842906

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-butan-2-yl-5-methylpiperazine?
The IUPAC name of 1-benzyl-2-butan-2-yl-5-methylpiperazine (CID 64845112) is 1-benzyl-2-butan-2-yl-5-methylpiperazine.
What is the SMILES notation for 1-benzyl-2-butan-2-yl-5-methylpiperazine?
The canonical SMILES for 1-benzyl-2-butan-2-yl-5-methylpiperazine is CCC(C)C1CNC(C)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-butan-2-yl-5-methylpiperazine?
The InChIKey is QYBZWCZFICBVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-13(2)16-10-17-14(3)11-18(16)12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,4,10-12H2,1-3H3.
What are the key properties of 1-benzyl-2-butan-2-yl-5-methylpiperazine?
1-benzyl-2-butan-2-yl-5-methylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-butan-2-yl-5-methylpiperazine is sourced from PubChem (CID 64845112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).