3-benzyl-1-(1-methoxybutan-2-yl)piperazine

C16H26N2O — CID 64953640

IUPAC3-benzyl-1-(1-methoxybutan-2-yl)piperazine
SMILESCCC(COC)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-3-16(13-19-2)18-10-9-17-15(12-18)11-14-7-5-4-6-8-14/h4-8,15-17H,3,9-13H2,1-2H3
InChIKeyAMYJGSQEADVYNE-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.93
Rot. Bonds6

About 3-benzyl-1-(1-methoxybutan-2-yl)piperazine

3-benzyl-1-(1-methoxybutan-2-yl)piperazine (PubChem CID 64953640) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-benzyl-1-(1-methoxybutan-2-yl)piperazine.

Molecular Properties

Compound Name3-benzyl-1-(1-methoxybutan-2-yl)piperazine
PubChem CID64953640
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-benzyl-1-(1-methoxybutan-2-yl)piperazine
SMILESCCC(COC)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-3-16(13-19-2)18-10-9-17-15(12-18)11-14-7-5-4-6-8-14/h4-8,15-17H,3,9-13H2,1-2H3
InChIKeyAMYJGSQEADVYNE-UHFFFAOYSA-N
XLogP1.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-(1-methoxypentan-2-yl)piperazine
CID 64954640
3-benzyl-1-(1-methoxypropan-2-yl)-1,4-diazepane
CID 64940163
3-benzyl-1-hexan-2-ylpiperazine
CID 64954753
3-benzyl-1-(2-methoxyethyl)-1,4-diazepane
CID 64858991
3-benzyl-1-cyclopropylpiperazine
CID 52992061
3-benzyl-1-(2-methylcyclopropyl)piperazine
CID 64952571
3-benzyl-1-(2-methylpropyl)piperazine
CID 64833907
5-benzyl-2-methyl-1-pentan-3-ylpiperazine
CID 64954473
3-benzyl-1-(4-methoxyphenyl)piperazine
CID 54503810
2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
5-benzyl-1-(2-methoxyethyl)-2-propylpiperazine
CID 64848203
2-[1-(3-benzylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64954842

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(1-methoxybutan-2-yl)piperazine?
The IUPAC name of 3-benzyl-1-(1-methoxybutan-2-yl)piperazine (CID 64953640) is 3-benzyl-1-(1-methoxybutan-2-yl)piperazine.
What is the SMILES notation for 3-benzyl-1-(1-methoxybutan-2-yl)piperazine?
The canonical SMILES for 3-benzyl-1-(1-methoxybutan-2-yl)piperazine is CCC(COC)N1CCNC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-(1-methoxybutan-2-yl)piperazine?
The InChIKey is AMYJGSQEADVYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-16(13-19-2)18-10-9-17-15(12-18)11-14-7-5-4-6-8-14/h4-8,15-17H,3,9-13H2,1-2H3.
What are the key properties of 3-benzyl-1-(1-methoxybutan-2-yl)piperazine?
3-benzyl-1-(1-methoxybutan-2-yl)piperazine has a molecular weight of 262.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(1-methoxybutan-2-yl)piperazine is sourced from PubChem (CID 64953640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).