1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine

C17H27N3 — CID 79844062

IUPAC1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
SMILESCc1cccc(N2CCN(CCC3(N)CCC3)CC2)c1
InChIInChI=1S/C17H27N3/c1-15-4-2-5-16(14-15)20-12-10-19(11-13-20)9-8-17(18)6-3-7-17/h2,4-5,14H,3,6-13,18H2,1H3
InChIKeyORJNNPYWHQFGRD-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.39
Rot. Bonds4

About 1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine

1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine (PubChem CID 79844062) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
PubChem CID79844062
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
SMILESCc1cccc(N2CCN(CCC3(N)CCC3)CC2)c1
InChIInChI=1S/C17H27N3/c1-15-4-2-5-16(14-15)20-12-10-19(11-13-20)9-8-17(18)6-3-7-17/h2,4-5,14H,3,6-13,18H2,1H3
InChIKeyORJNNPYWHQFGRD-UHFFFAOYSA-N
XLogP2.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79843810
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
CID 22751185
N',N'-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 62573769
4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
CID 64818966
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine
CID 62573588
N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 24690645
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
CID 81080109
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine (CID 79844062) is 1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine is Cc1cccc(N2CCN(CCC3(N)CCC3)CC2)c1.
What is the InChIKey of 1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine?
The InChIKey is ORJNNPYWHQFGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-15-4-2-5-16(14-15)20-12-10-19(11-13-20)9-8-17(18)6-3-7-17/h2,4-5,14H,3,6-13,18H2,1H3.
What are the key properties of 1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine?
1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79844062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).