[4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone

C18H35FN6O — CID 134340009

IUPAC[4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCCC1(F)CNCC(N)C1N1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C18H35FN6O/c1-3-4-18(19)14-21-13-15(20)16(18)23-9-11-25(12-10-23)17(26)24-7-5-22(2)6-8-24/h15-16,21H,3-14,20H2,1-2H3
InChIKeyZTFOKRUQFBFNGD-UHFFFAOYSA-N
MW370.52 g/mol
LogP-0.22
Rot. Bonds3

About [4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone

[4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 134340009) has the molecular formula C18H35FN6O and a molecular weight of 370.52 g/mol. Its IUPAC name is [4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID134340009
Molecular FormulaC18H35FN6O
Molecular Weight370.52 g/mol
Exact Mass370.29
IUPAC Name[4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCCC1(F)CNCC(N)C1N1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C18H35FN6O/c1-3-4-18(19)14-21-13-15(20)16(18)23-9-11-25(12-10-23)17(26)24-7-5-22(2)6-8-24/h15-16,21H,3-14,20H2,1-2H3
InChIKeyZTFOKRUQFBFNGD-UHFFFAOYSA-N
XLogP-0.22
TPSA68.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 134340009) is [4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone is CCCC1(F)CNCC(N)C1N1CCN(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of [4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZTFOKRUQFBFNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN6O/c1-3-4-18(19)14-21-13-15(20)16(18)23-9-11-25(12-10-23)17(26)24-7-5-22(2)6-8-24/h15-16,21H,3-14,20H2,1-2H3.
What are the key properties of [4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 370.52 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 134340009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).