1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine

C18H29N3 — CID 63715523

IUPAC1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCc1cccc(N2CCN(CC3CNCC3C)CC2)c1C
InChIInChI=1S/C18H29N3/c1-14-5-4-6-18(16(14)3)21-9-7-20(8-10-21)13-17-12-19-11-15(17)2/h4-6,15,17,19H,7-13H2,1-3H3
InChIKeySHJAVRALUXGPHI-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.28
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine

1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine (PubChem CID 63715523) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
PubChem CID63715523
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCc1cccc(N2CCN(CC3CNCC3C)CC2)c1C
InChIInChI=1S/C18H29N3/c1-14-5-4-6-18(16(14)3)21-9-7-20(8-10-21)13-17-12-19-11-15(17)2/h4-6,15,17,19H,7-13H2,1-3H3
InChIKeySHJAVRALUXGPHI-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine
CID 43245867
1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
CID 63715014
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 155975423
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 155980992
1-[(4-methylpyrrolidin-3-yl)methyl]azepane
CID 63715689
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
(1S,5R)-6-[[4-(2-methylphenyl)-1,4-diazepan-1-yl]methyl]-3-azabicyclo[3.1.0]hexane
CID 56892216
1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
CID 163344961
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine
CID 55135743
1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 63714384
1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine
CID 7441268

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine (CID 63715523) is 1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine is Cc1cccc(N2CCN(CC3CNCC3C)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine?
The InChIKey is SHJAVRALUXGPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14-5-4-6-18(16(14)3)21-9-7-20(8-10-21)13-17-12-19-11-15(17)2/h4-6,15,17,19H,7-13H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine?
1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine has a molecular weight of 287.45 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine is sourced from PubChem (CID 63715523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).