[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine
CID 59295552
5-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]-2-cyclohexyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 59295645
1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 70912989
1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine
CID 90191101
1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine
CID 107303810
4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline
CID 170748965
1-(4-tert-butyl-2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 155764118
4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 61441707
3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline
CID 143719345
[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
CID 62369446
3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine
CID 107303833
1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine
CID 2846614

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).