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

C17H28N2O — CID 64954640

IUPAC3-benzyl-1-(1-methoxypentan-2-yl)piperazine
SMILESCCCC(COC)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-3-7-17(14-20-2)19-11-10-18-16(13-19)12-15-8-5-4-6-9-15/h4-6,8-9,16-18H,3,7,10-14H2,1-2H3
InChIKeyROQCTGUJCFGRQB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.32
Rot. Bonds7

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

3-benzyl-1-(1-methoxypentan-2-yl)piperazine (PubChem CID 64954640) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-benzyl-1-(1-methoxypentan-2-yl)piperazine.

Molecular Properties

Compound Name3-benzyl-1-(1-methoxypentan-2-yl)piperazine
PubChem CID64954640
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-benzyl-1-(1-methoxypentan-2-yl)piperazine
SMILESCCCC(COC)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-3-7-17(14-20-2)19-11-10-18-16(13-19)12-15-8-5-4-6-9-15/h4-6,8-9,16-18H,3,7,10-14H2,1-2H3
InChIKeyROQCTGUJCFGRQB-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-(1-methoxybutan-2-yl)piperazine
CID 64953640
3-benzyl-1-(1-methoxypropan-2-yl)-1,4-diazepane
CID 64940163
3-benzyl-1-hexan-2-ylpiperazine
CID 64954753
1-(1-methoxypentan-2-yl)-3-propyl-1,4-diazepane
CID 64950428
3-benzyl-1-(2-methoxyethyl)-1,4-diazepane
CID 64858991
5-benzyl-1-(2-methoxyethyl)-2-propylpiperazine
CID 64848203
2-[1-(3-benzylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64954842
3-benzyl-1-cyclopropylpiperazine
CID 52992061
3-benzyl-1-(2-methylpropyl)piperazine
CID 64833907
3-benzyl-1-(2-methylcyclopropyl)piperazine
CID 64952571
3-benzyl-1-octylpiperazine
CID 64833102
3-benzyl-1-(4-methoxyphenyl)piperazine
CID 54503810

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(1-methoxypentan-2-yl)piperazine?
The IUPAC name of 3-benzyl-1-(1-methoxypentan-2-yl)piperazine (CID 64954640) is 3-benzyl-1-(1-methoxypentan-2-yl)piperazine.
What is the SMILES notation for 3-benzyl-1-(1-methoxypentan-2-yl)piperazine?
The canonical SMILES for 3-benzyl-1-(1-methoxypentan-2-yl)piperazine is CCCC(COC)N1CCNC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-(1-methoxypentan-2-yl)piperazine?
The InChIKey is ROQCTGUJCFGRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-7-17(14-20-2)19-11-10-18-16(13-19)12-15-8-5-4-6-9-15/h4-6,8-9,16-18H,3,7,10-14H2,1-2H3.
What are the key properties of 3-benzyl-1-(1-methoxypentan-2-yl)piperazine?
3-benzyl-1-(1-methoxypentan-2-yl)piperazine has a molecular weight of 276.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(1-methoxypentan-2-yl)piperazine is sourced from PubChem (CID 64954640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).