1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine

C15H22FN3 — CID 81168654

IUPAC1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine
SMILESNC1(CN2CCN(c3ccccc3F)CC2)CCC1
InChIInChI=1S/C15H22FN3/c16-13-4-1-2-5-14(13)19-10-8-18(9-11-19)12-15(17)6-3-7-15/h1-2,4-5H,3,6-12,17H2
InChIKeyVEMSGJDIAUCOQP-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.83
Rot. Bonds3

About 1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine

1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine (PubChem CID 81168654) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine
PubChem CID81168654
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine
SMILESNC1(CN2CCN(c3ccccc3F)CC2)CCC1
InChIInChI=1S/C15H22FN3/c16-13-4-1-2-5-14(13)19-10-8-18(9-11-19)12-15(17)6-3-7-15/h1-2,4-5H,3,6-12,17H2
InChIKeyVEMSGJDIAUCOQP-UHFFFAOYSA-N
XLogP1.83
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine
CID 65013429
[1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 79520730
(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 81179571
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
2-(6-azaspiro[3.4]octan-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 167870965
(1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 39058439
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 65267339
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
CID 63030253
4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 117011781
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine (CID 81168654) is 1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine is NC1(CN2CCN(c3ccccc3F)CC2)CCC1.
What is the InChIKey of 1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
The InChIKey is VEMSGJDIAUCOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c16-13-4-1-2-5-14(13)19-10-8-18(9-11-19)12-15(17)6-3-7-15/h1-2,4-5H,3,6-12,17H2.
What are the key properties of 1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 81168654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).