1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine

C18H29N3 — CID 116506406

IUPAC1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
SMILESCN1CCN(C)C(CC(N)c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C18H29N3/c1-20-10-11-21(2)17(13-20)12-18(19)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,14,17-18H,3-5,10-13,19H2,1-2H3
InChIKeyJFSULIFPTCQXOK-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.59
Rot. Bonds4

About 1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine

1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine (PubChem CID 116506406) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
PubChem CID116506406
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
SMILESCN1CCN(C)C(CC(N)c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C18H29N3/c1-20-10-11-21(2)17(13-20)12-18(19)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,14,17-18H,3-5,10-13,19H2,1-2H3
InChIKeyJFSULIFPTCQXOK-UHFFFAOYSA-N
XLogP2.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
2-(1,4-dimethylpiperazin-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 113305498
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
1-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415158
1-(4-cyclobutylphenyl)-3-ethoxypropan-1-amine
CID 105185330
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine
CID 115415033
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 106654174
[2-(1,4-dimethylpiperazin-2-yl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105260295
1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine
CID 105044925
2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine
CID 116517852

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine (CID 116506406) is 1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine is CN1CCN(C)C(CC(N)c2ccc(C3CCC3)cc2)C1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine?
The InChIKey is JFSULIFPTCQXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20-10-11-21(2)17(13-20)12-18(19)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,14,17-18H,3-5,10-13,19H2,1-2H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine?
1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 116506406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).