(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine

C15H24N2 — CID 46705371

IUPAC(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
SMILESCC(C)[C@H]1CN[C@@H](C)CN1Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-12(2)15-9-16-13(3)10-17(15)11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t13-,15+/m0/s1
InChIKeyLMIJQVLRSRHFCM-DZGCQCFKSA-N
MW232.37 g/mol
LogP2.50
Rot. Bonds3

About (2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine

(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 46705371) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID46705371
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
SMILESCC(C)[C@H]1CN[C@@H](C)CN1Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-12(2)15-9-16-13(3)10-17(15)11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t13-,15+/m0/s1
InChIKeyLMIJQVLRSRHFCM-DZGCQCFKSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
1-[(3-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844307
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844500
1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846874
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine
CID 64938383
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine
CID 82251755
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of (2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine (CID 46705371) is (2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for (2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for (2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine is CC(C)[C@H]1CN[C@@H](C)CN1Cc1ccccc1.
What is the InChIKey of (2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is LMIJQVLRSRHFCM-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)15-9-16-13(3)10-17(15)11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of (2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine?
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 232.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 46705371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).