5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine

C15H30FN5 — CID 134577933

IUPAC5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine
SMILESCN1CCN(C2CCN(C3C(N)CNCC3F)CC2)CC1
InChIInChI=1S/C15H30FN5/c1-19-6-8-20(9-7-19)12-2-4-21(5-3-12)15-13(16)10-18-11-14(15)17/h12-15,18H,2-11,17H2,1H3
InChIKeyHLWUNDLZTCXXFR-UHFFFAOYSA-N
MW299.44 g/mol
LogP-0.66
Rot. Bonds2

About 5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine

5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine (PubChem CID 134577933) has the molecular formula C15H30FN5 and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine
PubChem CID134577933
Molecular FormulaC15H30FN5
Molecular Weight299.44 g/mol
Exact Mass299.25
IUPAC Name5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine
SMILESCN1CCN(C2CCN(C3C(N)CNCC3F)CC2)CC1
InChIInChI=1S/C15H30FN5/c1-19-6-8-20(9-7-19)12-2-4-21(5-3-12)15-13(16)10-18-11-14(15)17/h12-15,18H,2-11,17H2,1H3
InChIKeyHLWUNDLZTCXXFR-UHFFFAOYSA-N
XLogP-0.66
TPSA47.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine?
The IUPAC name of 5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine (CID 134577933) is 5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine.
What is the SMILES notation for 5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine?
The canonical SMILES for 5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine is CN1CCN(C2CCN(C3C(N)CNCC3F)CC2)CC1.
What is the InChIKey of 5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine?
The InChIKey is HLWUNDLZTCXXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30FN5/c1-19-6-8-20(9-7-19)12-2-4-21(5-3-12)15-13(16)10-18-11-14(15)17/h12-15,18H,2-11,17H2,1H3.
What are the key properties of 5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine?
5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine has a molecular weight of 299.44 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine is sourced from PubChem (CID 134577933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).