(5S)-1-benzyl-2,2,5-trimethylpiperazine

C14H22N2 — CID 94985399

IUPAC(5S)-1-benzyl-2,2,5-trimethylpiperazine
SMILESC[C@H]1CN(Cc2ccccc2)C(C)(C)CN1
InChIInChI=1S/C14H22N2/c1-12-9-16(14(2,3)11-15-12)10-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3/t12-/m0/s1
InChIKeyHIWHYNYFFGYGLP-LBPRGKRZSA-N
MW218.34 g/mol
LogP2.26
Rot. Bonds2

About (5S)-1-benzyl-2,2,5-trimethylpiperazine

(5S)-1-benzyl-2,2,5-trimethylpiperazine (PubChem CID 94985399) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (5S)-1-benzyl-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name(5S)-1-benzyl-2,2,5-trimethylpiperazine
PubChem CID94985399
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(5S)-1-benzyl-2,2,5-trimethylpiperazine
SMILESC[C@H]1CN(Cc2ccccc2)C(C)(C)CN1
InChIInChI=1S/C14H22N2/c1-12-9-16(14(2,3)11-15-12)10-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3/t12-/m0/s1
InChIKeyHIWHYNYFFGYGLP-LBPRGKRZSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398
1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64844916
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334919
1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64844520
1-[(2-bromophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64843930
1-[(3,4-difluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 82923713
2,2,5-trimethyl-1-(2-phenoxyethyl)piperazine
CID 64844519
2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline
CID 79232801
1-[(2-chloro-6-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64843935
1-[(2,5-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 65317746
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-2,2,5-trimethylpiperazine?
The IUPAC name of (5S)-1-benzyl-2,2,5-trimethylpiperazine (CID 94985399) is (5S)-1-benzyl-2,2,5-trimethylpiperazine.
What is the SMILES notation for (5S)-1-benzyl-2,2,5-trimethylpiperazine?
The canonical SMILES for (5S)-1-benzyl-2,2,5-trimethylpiperazine is C[C@H]1CN(Cc2ccccc2)C(C)(C)CN1.
What is the InChIKey of (5S)-1-benzyl-2,2,5-trimethylpiperazine?
The InChIKey is HIWHYNYFFGYGLP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-9-16(14(2,3)11-15-12)10-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (5S)-1-benzyl-2,2,5-trimethylpiperazine?
(5S)-1-benzyl-2,2,5-trimethylpiperazine has a molecular weight of 218.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-2,2,5-trimethylpiperazine is sourced from PubChem (CID 94985399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).