5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine

C16H24N2 — CID 113486045

IUPAC5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine
SMILESCC1CN(C2(C)CCC2)C(c2ccccc2)CN1
InChIInChI=1S/C16H24N2/c1-13-12-18(16(2)9-6-10-16)15(11-17-13)14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3
InChIKeyQWZKIEFCCUURGH-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.96
Rot. Bonds2

About 5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine

5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine (PubChem CID 113486045) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine
PubChem CID113486045
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine
SMILESCC1CN(C2(C)CCC2)C(c2ccccc2)CN1
InChIInChI=1S/C16H24N2/c1-13-12-18(16(2)9-6-10-16)15(11-17-13)14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3
InChIKeyQWZKIEFCCUURGH-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclizine
CID 6726
1-Benzylpiperazine
CID 75994
Cyclizine Hydrochloride
CID 6420019
N-ethyl-1-phenylcyclohexanamine
CID 16622
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Benzhydrylpiperazine
CID 70048
Benzathine
CID 8793
Amphetaminil
CID 28615
Isopropylbenzylamine
CID 66024
Norbenzphetamine
CID 102554
N-Benzylethylenediamine
CID 77801
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine?
The IUPAC name of 5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine (CID 113486045) is 5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine.
What is the SMILES notation for 5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine?
The canonical SMILES for 5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine is CC1CN(C2(C)CCC2)C(c2ccccc2)CN1.
What is the InChIKey of 5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine?
The InChIKey is QWZKIEFCCUURGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-12-18(16(2)9-6-10-16)15(11-17-13)14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3.
What are the key properties of 5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine?
5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine has a molecular weight of 244.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine is sourced from PubChem (CID 113486045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).