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

C16H32FN5 — CID 123442953

IUPAC5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
SMILESCN1CCN(CC2CCN(C3C(N)CNCC3F)CC2)CC1
InChIInChI=1S/C16H32FN5/c1-20-6-8-21(9-7-20)12-13-2-4-22(5-3-13)16-14(17)10-19-11-15(16)18/h13-16,19H,2-12,18H2,1H3
InChIKeyQPGNGNXCXXPQPY-UHFFFAOYSA-N
MW313.47 g/mol
LogP-0.42
Rot. Bonds3

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

5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine (PubChem CID 123442953) has the molecular formula C16H32FN5 and a molecular weight of 313.47 g/mol. Its IUPAC name is 5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
PubChem CID123442953
Molecular FormulaC16H32FN5
Molecular Weight313.47 g/mol
Exact Mass313.26
IUPAC Name5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
SMILESCN1CCN(CC2CCN(C3C(N)CNCC3F)CC2)CC1
InChIInChI=1S/C16H32FN5/c1-20-6-8-21(9-7-20)12-13-2-4-22(5-3-13)16-14(17)10-19-11-15(16)18/h13-16,19H,2-12,18H2,1H3
InChIKeyQPGNGNXCXXPQPY-UHFFFAOYSA-N
XLogP-0.42
TPSA47.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 5-0.42
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)methyl]piperidin-1-yl]piperidin-3-amine?
The IUPAC name of 5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine (CID 123442953) is 5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine.
What is the SMILES notation for 5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine?
The canonical SMILES for 5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine is CN1CCN(CC2CCN(C3C(N)CNCC3F)CC2)CC1.
What is the InChIKey of 5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine?
The InChIKey is QPGNGNXCXXPQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32FN5/c1-20-6-8-21(9-7-20)12-13-2-4-22(5-3-13)16-14(17)10-19-11-15(16)18/h13-16,19H,2-12,18H2,1H3.
What are the key properties of 5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine?
5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine has a molecular weight of 313.47 g/mol, XLogP of -0.42, 3 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)methyl]piperidin-1-yl]piperidin-3-amine is sourced from PubChem (CID 123442953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).