1-benzyl-4-[(2R)-butan-2-yl]piperazine

C15H24N2 — CID 2248321

IUPAC1-benzyl-4-[(2R)-butan-2-yl]piperazine
SMILESCC[C@@H](C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2/c1-3-14(2)17-11-9-16(10-12-17)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/t14-/m1/s1
InChIKeyCOWCJOKMBMREBA-CQSZACIVSA-N
MW232.37 g/mol
LogP2.60
Rot. Bonds4

About 1-benzyl-4-[(2R)-butan-2-yl]piperazine

1-benzyl-4-[(2R)-butan-2-yl]piperazine (PubChem CID 2248321) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-benzyl-4-[(2R)-butan-2-yl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(2R)-butan-2-yl]piperazine
PubChem CID2248321
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-benzyl-4-[(2R)-butan-2-yl]piperazine
SMILESCC[C@@H](C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2/c1-3-14(2)17-11-9-16(10-12-17)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/t14-/m1/s1
InChIKeyCOWCJOKMBMREBA-CQSZACIVSA-N
XLogP2.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine
CID 796148
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
3-(4-benzylpiperazin-1-yl)butanenitrile
CID 54946270
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62774841
N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425638

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2R)-butan-2-yl]piperazine?
The IUPAC name of 1-benzyl-4-[(2R)-butan-2-yl]piperazine (CID 2248321) is 1-benzyl-4-[(2R)-butan-2-yl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(2R)-butan-2-yl]piperazine?
The canonical SMILES for 1-benzyl-4-[(2R)-butan-2-yl]piperazine is CC[C@@H](C)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(2R)-butan-2-yl]piperazine?
The InChIKey is COWCJOKMBMREBA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-14(2)17-11-9-16(10-12-17)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-benzyl-4-[(2R)-butan-2-yl]piperazine?
1-benzyl-4-[(2R)-butan-2-yl]piperazine has a molecular weight of 232.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2R)-butan-2-yl]piperazine is sourced from PubChem (CID 2248321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).