1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine

C17H28N2 — CID 171307626

IUPAC1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cccc(C)c1C)N1CCNCC1
InChIInChI=1S/C17H28N2/c1-4-5-9-17(19-12-10-18-11-13-19)16-8-6-7-14(2)15(16)3/h6-8,17-18H,4-5,9-13H2,1-3H3/t17-/m1/s1
InChIKeyKOMRGCGVERTWLM-QGZVFWFLSA-N
MW260.43 g/mol
LogP3.44
Rot. Bonds5

About 1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine

1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine (PubChem CID 171307626) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine
PubChem CID171307626
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cccc(C)c1C)N1CCNCC1
InChIInChI=1S/C17H28N2/c1-4-5-9-17(19-12-10-18-11-13-19)16-8-6-7-14(2)15(16)3/h6-8,17-18H,4-5,9-13H2,1-3H3/t17-/m1/s1
InChIKeyKOMRGCGVERTWLM-QGZVFWFLSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171309515
1-[(1R)-1-(2,3-dimethylphenyl)propyl]piperazine
CID 96660511
1-[(1S)-1-(2,3-dimethylphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164319
2-methyl-6-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171309517
1-[(1S)-1-(2,3-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181800
1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169153
1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine
CID 171308015
1-[(1S)-1-(2,3-dimethylphenyl)but-3-enyl]piperazine
CID 171275803
2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol
CID 171168188
2-methyl-6-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171294452
1-[(1R)-1-(2,3-dimethylphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171288458
2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307332

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine (CID 171307626) is 1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine is CCCC[C@H](c1cccc(C)c1C)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine?
The InChIKey is KOMRGCGVERTWLM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-5-9-17(19-12-10-18-11-13-19)16-8-6-7-14(2)15(16)3/h6-8,17-18H,4-5,9-13H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine?
1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine is sourced from PubChem (CID 171307626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).