1-benzyl-5,5-diethyl-2-methylpiperazine

C16H26N2 — CID 64862341

IUPAC1-benzyl-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(Cc2ccccc2)C(C)CN1
InChIInChI=1S/C16H26N2/c1-4-16(5-2)13-18(14(3)11-17-16)12-15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13H2,1-3H3
InChIKeyHCHHAJXISVPUNX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.04
Rot. Bonds4

About 1-benzyl-5,5-diethyl-2-methylpiperazine

1-benzyl-5,5-diethyl-2-methylpiperazine (PubChem CID 64862341) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-benzyl-5,5-diethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-benzyl-5,5-diethyl-2-methylpiperazine
PubChem CID64862341
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-benzyl-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(Cc2ccccc2)C(C)CN1
InChIInChI=1S/C16H26N2/c1-4-16(5-2)13-18(14(3)11-17-16)12-15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13H2,1-3H3
InChIKeyHCHHAJXISVPUNX-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64860604
5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64860612
5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine
CID 64861186
1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64861187
3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81173577
1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64859837
5,5-diethyl-2-methyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64933169
1-benzyl-3,7-dimethyl-3-phenyl-1,4-diazepane
CID 64870439
1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine
CID 65491363
5,5-diethyl-1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 106261604
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64860226
2-benzyl-5,5-diethyl-1-(2-methylpropyl)piperazine
CID 64861605

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,5-diethyl-2-methylpiperazine?
The IUPAC name of 1-benzyl-5,5-diethyl-2-methylpiperazine (CID 64862341) is 1-benzyl-5,5-diethyl-2-methylpiperazine.
What is the SMILES notation for 1-benzyl-5,5-diethyl-2-methylpiperazine?
The canonical SMILES for 1-benzyl-5,5-diethyl-2-methylpiperazine is CCC1(CC)CN(Cc2ccccc2)C(C)CN1.
What is the InChIKey of 1-benzyl-5,5-diethyl-2-methylpiperazine?
The InChIKey is HCHHAJXISVPUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-16(5-2)13-18(14(3)11-17-16)12-15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13H2,1-3H3.
What are the key properties of 1-benzyl-5,5-diethyl-2-methylpiperazine?
1-benzyl-5,5-diethyl-2-methylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,5-diethyl-2-methylpiperazine is sourced from PubChem (CID 64862341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).