(2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine

C22H30FN5 — CID 143290721

IUPAC(2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine
SMILESN[C@@H](CCN1CC(N2CCN(c3ccccn3)CC2)C1)Cc1ccccc1F
InChIInChI=1S/C22H30FN5/c23-21-6-2-1-5-18(21)15-19(24)8-10-26-16-20(17-26)27-11-13-28(14-12-27)22-7-3-4-9-25-22/h1-7,9,19-20H,8,10-17,24H2/t19-/m0/s1
InChIKeyLMJNGAGUVPWZLG-IBGZPJMESA-N
MW383.51 g/mol
LogP1.99
Rot. Bonds7

About (2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine

(2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine (PubChem CID 143290721) has the molecular formula C22H30FN5 and a molecular weight of 383.51 g/mol. Its IUPAC name is (2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine
PubChem CID143290721
Molecular FormulaC22H30FN5
Molecular Weight383.51 g/mol
Exact Mass383.25
IUPAC Name(2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine
SMILESN[C@@H](CCN1CC(N2CCN(c3ccccn3)CC2)C1)Cc1ccccc1F
InChIInChI=1S/C22H30FN5/c23-21-6-2-1-5-18(21)15-19(24)8-10-26-16-20(17-26)27-11-13-28(14-12-27)22-7-3-4-9-25-22/h1-7,9,19-20H,8,10-17,24H2/t19-/m0/s1
InChIKeyLMJNGAGUVPWZLG-IBGZPJMESA-N
XLogP1.99
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine with MolForge

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Related Compounds

1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
CID 126893461
(2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine
CID 143151502
1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893462
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one
CID 126893492
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
2-methyl-5-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazin-3-one
CID 126893477
5-cyclopropyl-3-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893518

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine?
The IUPAC name of (2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine (CID 143290721) is (2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine.
What is the SMILES notation for (2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine?
The canonical SMILES for (2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine is N[C@@H](CCN1CC(N2CCN(c3ccccn3)CC2)C1)Cc1ccccc1F.
What is the InChIKey of (2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine?
The InChIKey is LMJNGAGUVPWZLG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30FN5/c23-21-6-2-1-5-18(21)15-19(24)8-10-26-16-20(17-26)27-11-13-28(14-12-27)22-7-3-4-9-25-22/h1-7,9,19-20H,8,10-17,24H2/t19-/m0/s1.
What are the key properties of (2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine?
(2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine has a molecular weight of 383.51 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine is sourced from PubChem (CID 143290721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).