1-[1-(3,4-dimethylphenyl)ethyl]piperazine

C14H22N2 — CID 2758613

IUPAC1-[1-(3,4-dimethylphenyl)ethyl]piperazine
SMILESCc1ccc(C(C)N2CCNCC2)cc1C
InChIInChI=1S/C14H22N2/c1-11-4-5-14(10-12(11)2)13(3)16-8-6-15-7-9-16/h4-5,10,13,15H,6-9H2,1-3H3
InChIKeyKIZHKDIPORTYKA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.27
Rot. Bonds2

About 1-[1-(3,4-dimethylphenyl)ethyl]piperazine

1-[1-(3,4-dimethylphenyl)ethyl]piperazine (PubChem CID 2758613) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)ethyl]piperazine
PubChem CID2758613
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[1-(3,4-dimethylphenyl)ethyl]piperazine
SMILESCc1ccc(C(C)N2CCNCC2)cc1C
InChIInChI=1S/C14H22N2/c1-11-4-5-14(10-12(11)2)13(3)16-8-6-15-7-9-16/h4-5,10,13,15H,6-9H2,1-3H3
InChIKeyKIZHKDIPORTYKA-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperazine
CID 75994
Benzhydrylpiperazine
CID 70048
1-(1-Naphthylmethyl)piperazine
CID 701891
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7462300
N-Benzyl-N-methylpiperidin-4-amine--hydrogen chloride (1/1)
CID 24746773
Isobutyl-(4-methyl-benzyl)-piperidin-4-yl-amine
CID 44411213
3-Methylbenzylpiperazine
CID 79213
7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10375551
7-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 13805378
3-Ethyl-1,2,3,4-tetrahydroisoquinoline
CID 14027805

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)ethyl]piperazine?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)ethyl]piperazine (CID 2758613) is 1-[1-(3,4-dimethylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)ethyl]piperazine is Cc1ccc(C(C)N2CCNCC2)cc1C.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)ethyl]piperazine?
The InChIKey is KIZHKDIPORTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-4-5-14(10-12(11)2)13(3)16-8-6-15-7-9-16/h4-5,10,13,15H,6-9H2,1-3H3.
What are the key properties of 1-[1-(3,4-dimethylphenyl)ethyl]piperazine?
1-[1-(3,4-dimethylphenyl)ethyl]piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)ethyl]piperazine is sourced from PubChem (CID 2758613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).