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

C17H27N3 — CID 120968440

IUPAC1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
SMILESCc1ccc(CN2CCC(N3CCNCC3)C2)c(C)c1
InChIInChI=1S/C17H27N3/c1-14-3-4-16(15(2)11-14)12-19-8-5-17(13-19)20-9-6-18-7-10-20/h3-4,11,17-18H,5-10,12-13H2,1-2H3
InChIKeyOFXNQKWCCSGCPY-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.78
Rot. Bonds3

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

1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine (PubChem CID 120968440) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
PubChem CID120968440
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
SMILESCc1ccc(CN2CCC(N3CCNCC3)C2)c(C)c1
InChIInChI=1S/C17H27N3/c1-14-3-4-16(15(2)11-14)12-19-8-5-17(13-19)20-9-6-18-7-10-20/h3-4,11,17-18H,5-10,12-13H2,1-2H3
InChIKeyOFXNQKWCCSGCPY-UHFFFAOYSA-N
XLogP1.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967858
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980205
1-[1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968136
1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine
CID 66201053
2-(4-methylphenyl)-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 120968224
1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967780
1-[1-[(4-methyl-3-nitrophenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968332
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 60977609
1-[1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120967616
2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride
CID 120967910

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine (CID 120968440) is 1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine is Cc1ccc(CN2CCC(N3CCNCC3)C2)c(C)c1.
What is the InChIKey of 1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine?
The InChIKey is OFXNQKWCCSGCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-3-4-16(15(2)11-14)12-19-8-5-17(13-19)20-9-6-18-7-10-20/h3-4,11,17-18H,5-10,12-13H2,1-2H3.
What are the key properties of 1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine?
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine has a molecular weight of 273.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 120968440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).