1-(3,4-dimethyl-5-phenylphenyl)piperazine

C18H22N2 — CID 20680417

IUPAC1-(3,4-dimethyl-5-phenylphenyl)piperazine
SMILESCc1cc(N2CCNCC2)cc(-c2ccccc2)c1C
InChIInChI=1S/C18H22N2/c1-14-12-17(20-10-8-19-9-11-20)13-18(15(14)2)16-6-4-3-5-7-16/h3-7,12-13,19H,8-11H2,1-2H3
InChIKeyLRKDSIIDYPJGGM-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.38
Rot. Bonds2

About 1-(3,4-dimethyl-5-phenylphenyl)piperazine

1-(3,4-dimethyl-5-phenylphenyl)piperazine (PubChem CID 20680417) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(3,4-dimethyl-5-phenylphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethyl-5-phenylphenyl)piperazine
PubChem CID20680417
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(3,4-dimethyl-5-phenylphenyl)piperazine
SMILESCc1cc(N2CCNCC2)cc(-c2ccccc2)c1C
InChIInChI=1S/C18H22N2/c1-14-12-17(20-10-8-19-9-11-20)13-18(15(14)2)16-6-4-3-5-7-16/h3-7,12-13,19H,8-11H2,1-2H3
InChIKeyLRKDSIIDYPJGGM-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine
CID 91090154
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571
1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762
1-[(4-methyl-3-phenylphenyl)methyl]piperazine
CID 117420356
1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
CID 21071017
4-[4-(4-amino-3-methylphenyl)-1,4,7-triazonan-1-yl]-2-methylaniline
CID 23103839
1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride
CID 154914779
6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile
CID 14011873
3-chloro-4-phenyl-6-piperazin-1-ylpyridazine
CID 174582943
1-[3-fluoro-5-(2-fluorophenyl)phenyl]piperazine
CID 11708865
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-5-phenylphenyl)piperazine?
The IUPAC name of 1-(3,4-dimethyl-5-phenylphenyl)piperazine (CID 20680417) is 1-(3,4-dimethyl-5-phenylphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethyl-5-phenylphenyl)piperazine?
The canonical SMILES for 1-(3,4-dimethyl-5-phenylphenyl)piperazine is Cc1cc(N2CCNCC2)cc(-c2ccccc2)c1C.
What is the InChIKey of 1-(3,4-dimethyl-5-phenylphenyl)piperazine?
The InChIKey is LRKDSIIDYPJGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-12-17(20-10-8-19-9-11-20)13-18(15(14)2)16-6-4-3-5-7-16/h3-7,12-13,19H,8-11H2,1-2H3.
What are the key properties of 1-(3,4-dimethyl-5-phenylphenyl)piperazine?
1-(3,4-dimethyl-5-phenylphenyl)piperazine has a molecular weight of 266.39 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-5-phenylphenyl)piperazine is sourced from PubChem (CID 20680417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).