2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine

C18H29N3 — CID 82250163

IUPAC2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
SMILESCC1CN(CCN2CCCC2)C(Cc2ccccc2)CN1
InChIInChI=1S/C18H29N3/c1-16-15-21(12-11-20-9-5-6-10-20)18(14-19-16)13-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3
InChIKeyIKTPYAUKDVWNTP-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.99
Rot. Bonds5

About 2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine

2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine (PubChem CID 82250163) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
PubChem CID82250163
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
SMILESCC1CN(CCN2CCCC2)C(Cc2ccccc2)CN1
InChIInChI=1S/C18H29N3/c1-16-15-21(12-11-20-9-5-6-10-20)18(14-19-16)13-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3
InChIKeyIKTPYAUKDVWNTP-UHFFFAOYSA-N
XLogP1.99
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine
CID 82246267
2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine
CID 65462876
2-benzyl-1,5-dimethylpiperazine
CID 64844005
2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 115943580
5-methyl-2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)piperazine
CID 82247109
2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine
CID 80696999
2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine
CID 64844392
2-benzyl-5-ethyl-1-pentylpiperazine
CID 64843710
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
CID 114334915
5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
CID 64845965
1,2,5-tribenzylpiperazine
CID 64850137

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine?
The IUPAC name of 2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine (CID 82250163) is 2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine.
What is the SMILES notation for 2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine?
The canonical SMILES for 2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine is CC1CN(CCN2CCCC2)C(Cc2ccccc2)CN1.
What is the InChIKey of 2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine?
The InChIKey is IKTPYAUKDVWNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-16-15-21(12-11-20-9-5-6-10-20)18(14-19-16)13-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3.
What are the key properties of 2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine?
2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine has a molecular weight of 287.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine is sourced from PubChem (CID 82250163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).