[4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine

C20H33FN4 — CID 149038889

IUPAC[4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine
SMILESCC(C)(C)c1ccc(N2CCC(N3CCN(CN)CC3)CC2)c(F)c1
InChIInChI=1S/C20H33FN4/c1-20(2,3)16-4-5-19(18(21)14-16)25-8-6-17(7-9-25)24-12-10-23(15-22)11-13-24/h4-5,14,17H,6-13,15,22H2,1-3H3
InChIKeyQHEDOLBGVAIOOY-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.63
Rot. Bonds3

About [4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine

[4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine (PubChem CID 149038889) has the molecular formula C20H33FN4 and a molecular weight of 348.51 g/mol. Its IUPAC name is [4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine.

Molecular Properties

Compound Name[4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine
PubChem CID149038889
Molecular FormulaC20H33FN4
Molecular Weight348.51 g/mol
Exact Mass348.27
IUPAC Name[4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine
SMILESCC(C)(C)c1ccc(N2CCC(N3CCN(CN)CC3)CC2)c(F)c1
InChIInChI=1S/C20H33FN4/c1-20(2,3)16-4-5-19(18(21)14-16)25-8-6-17(7-9-25)24-12-10-23(15-22)11-13-24/h4-5,14,17H,6-13,15,22H2,1-3H3
InChIKeyQHEDOLBGVAIOOY-UHFFFAOYSA-N
XLogP2.63
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine?
The IUPAC name of [4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine (CID 149038889) is [4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine.
What is the SMILES notation for [4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine?
The canonical SMILES for [4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine is CC(C)(C)c1ccc(N2CCC(N3CCN(CN)CC3)CC2)c(F)c1.
What is the InChIKey of [4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine?
The InChIKey is QHEDOLBGVAIOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN4/c1-20(2,3)16-4-5-19(18(21)14-16)25-8-6-17(7-9-25)24-12-10-23(15-22)11-13-24/h4-5,14,17H,6-13,15,22H2,1-3H3.
What are the key properties of [4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine?
[4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine has a molecular weight of 348.51 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine is sourced from PubChem (CID 149038889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).