3-benzyl-1-hexan-2-ylpiperazine

C17H28N2 — CID 64954753

IUPAC3-benzyl-1-hexan-2-ylpiperazine
SMILESCCCCC(C)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-3-4-8-15(2)19-12-11-18-17(14-19)13-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,3-4,8,11-14H2,1-2H3
InChIKeyORRCDMFQHMQMLS-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.08
Rot. Bonds6

About 3-benzyl-1-hexan-2-ylpiperazine

3-benzyl-1-hexan-2-ylpiperazine (PubChem CID 64954753) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-benzyl-1-hexan-2-ylpiperazine.

Molecular Properties

Compound Name3-benzyl-1-hexan-2-ylpiperazine
PubChem CID64954753
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-benzyl-1-hexan-2-ylpiperazine
SMILESCCCCC(C)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-3-4-8-15(2)19-12-11-18-17(14-19)13-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,3-4,8,11-14H2,1-2H3
InChIKeyORRCDMFQHMQMLS-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-octylpiperazine
CID 64833102
3-benzyl-1-(1-methoxybutan-2-yl)piperazine
CID 64953640
1-heptan-2-yl-3-propylpiperazine
CID 64924539
3-benzyl-1-(2-methylpropyl)piperazine
CID 64833907
3-benzyl-7-methyl-1-pentan-2-yl-1,4-diazepane
CID 107888724
2-[1-(3-benzylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64954842
3-benzyl-1-cyclopropylpiperazine
CID 52992061
3-benzyl-1-(2-methylcyclopropyl)piperazine
CID 64952571
1-(3-benzylpiperazin-1-yl)butan-1-one
CID 82244330
2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one
CID 110478917

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-hexan-2-ylpiperazine?
The IUPAC name of 3-benzyl-1-hexan-2-ylpiperazine (CID 64954753) is 3-benzyl-1-hexan-2-ylpiperazine.
What is the SMILES notation for 3-benzyl-1-hexan-2-ylpiperazine?
The canonical SMILES for 3-benzyl-1-hexan-2-ylpiperazine is CCCCC(C)N1CCNC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-hexan-2-ylpiperazine?
The InChIKey is ORRCDMFQHMQMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-8-15(2)19-12-11-18-17(14-19)13-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,3-4,8,11-14H2,1-2H3.
What are the key properties of 3-benzyl-1-hexan-2-ylpiperazine?
3-benzyl-1-hexan-2-ylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-hexan-2-ylpiperazine is sourced from PubChem (CID 64954753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).