[1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine

C15H22FN3 — CID 79520730

IUPAC[1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine
SMILESNCC1(N2CCN(c3ccccc3F)CC2)CCC1
InChIInChI=1S/C15H22FN3/c16-13-4-1-2-5-14(13)18-8-10-19(11-9-18)15(12-17)6-3-7-15/h1-2,4-5H,3,6-12,17H2
InChIKeyKEMSEEZGQQYRNB-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.83
Rot. Bonds3

About [1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine

[1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine (PubChem CID 79520730) 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]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine
PubChem CID79520730
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name[1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine
SMILESNCC1(N2CCN(c3ccccc3F)CC2)CCC1
InChIInChI=1S/C15H22FN3/c16-13-4-1-2-5-14(13)18-8-10-19(11-9-18)15(12-17)6-3-7-15/h1-2,4-5H,3,6-12,17H2
InChIKeyKEMSEEZGQQYRNB-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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Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine (CID 79520730) is [1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine is NCC1(N2CCN(c3ccccc3F)CC2)CCC1.
What is the InChIKey of [1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine?
The InChIKey is KEMSEEZGQQYRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c16-13-4-1-2-5-14(13)18-8-10-19(11-9-18)15(12-17)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]cyclobutyl]methanamine?
[1-[4-(2-fluorophenyl)piperazin-1-yl]cyclobutyl]methanamine 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]cyclobutyl]methanamine is sourced from PubChem (CID 79520730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).