1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine

C23H30N2 — CID 25141221

IUPAC1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine
SMILESCc1ccc(N2CCN(C[C@@H]3C[C@@]3(C)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2/c1-18-9-10-22(19(2)15-18)25-13-11-24(12-14-25)17-21-16-23(21,3)20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-17H2,1-3H3/t21-,23-/m0/s1
InChIKeyOIHWZRQFQMFEOO-GMAHTHKFSA-N
MW334.51 g/mol
LogP4.40
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine

1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine (PubChem CID 25141221) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine
PubChem CID25141221
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine
SMILESCc1ccc(N2CCN(C[C@@H]3C[C@@]3(C)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2/c1-18-9-10-22(19(2)15-18)25-13-11-24(12-14-25)17-21-16-23(21,3)20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-17H2,1-3H3/t21-,23-/m0/s1
InChIKeyOIHWZRQFQMFEOO-GMAHTHKFSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloroethyl)-4-(2,4-dimethylphenyl)piperazine
CID 4741820
1-(2,4-dimethylphenyl)-4-[(1S,2S)-2-phenylcyclopropyl]piperazine
CID 101080306
1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine
CID 25065047
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 53369928
1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10615990
3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431847
N-methyl-1-[(2R)-2-methyl-2-(4-methylphenyl)cyclopropyl]methanamine
CID 143290499
1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine
CID 68559968
1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine
CID 23987033
2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[[3-(4-phenoxyphenyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 142679409
3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
CID 3821431
(3S,3aS,5S,8aR,9aR)-3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
CID 163078479

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine (CID 25141221) is 1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine is Cc1ccc(N2CCN(C[C@@H]3C[C@@]3(C)c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine?
The InChIKey is OIHWZRQFQMFEOO-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H30N2/c1-18-9-10-22(19(2)15-18)25-13-11-24(12-14-25)17-21-16-23(21,3)20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-17H2,1-3H3/t21-,23-/m0/s1.
What are the key properties of 1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine?
1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine has a molecular weight of 334.51 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine is sourced from PubChem (CID 25141221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).