(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine

C23H30N2 — CID 144920787

IUPAC(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
SMILESC=C(C)c1ccc(CN2CC(C)N(Cc3ccccc3)[C@H](C)C2)cc1
InChIInChI=1S/C23H30N2/c1-18(2)23-12-10-22(11-13-23)16-24-14-19(3)25(20(4)15-24)17-21-8-6-5-7-9-21/h5-13,19-20H,1,14-17H2,2-4H3/t19-,20?/m1/s1
InChIKeyHTQLRMMCUMFGKY-FIWHBWSRSA-N
MW334.51 g/mol
LogP4.81
Rot. Bonds5

About (2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine

(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine (PubChem CID 144920787) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is (2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
PubChem CID144920787
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
SMILESC=C(C)c1ccc(CN2CC(C)N(Cc3ccccc3)[C@H](C)C2)cc1
InChIInChI=1S/C23H30N2/c1-18(2)23-12-10-22(11-13-23)16-24-14-19(3)25(20(4)15-24)17-21-8-6-5-7-9-21/h5-13,19-20H,1,14-17H2,2-4H3/t19-,20?/m1/s1
InChIKeyHTQLRMMCUMFGKY-FIWHBWSRSA-N
XLogP4.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259792
methyl 4-[[(3R,5S)-4-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367213
(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
CID 135137500
1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid
CID 89076293
4-[[(3S,5R)-4-[[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259804
4-[[(3R,5S)-4-[(3-chlorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259846
4-[[4-[[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 144920782
2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol
CID 118407524
4-[[(3R,5S)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]-2-fluorobenzoic acid
CID 135259892
1-[4-[[(3R,5S)-3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methyl]phenyl]-2-hydroxyethanone
CID 158824822
1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane
CID 142374999
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine?
The IUPAC name of (2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine (CID 144920787) is (2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for (2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine?
The canonical SMILES for (2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine is C=C(C)c1ccc(CN2CC(C)N(Cc3ccccc3)[C@H](C)C2)cc1.
What is the InChIKey of (2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine?
The InChIKey is HTQLRMMCUMFGKY-FIWHBWSRSA-N. The full InChI is InChI=1S/C23H30N2/c1-18(2)23-12-10-22(11-13-23)16-24-14-19(3)25(20(4)15-24)17-21-8-6-5-7-9-21/h5-13,19-20H,1,14-17H2,2-4H3/t19-,20?/m1/s1.
What are the key properties of (2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine?
(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine has a molecular weight of 334.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 144920787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).