1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine

C18H30FN5 — CID 15729927

IUPAC1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine
SMILESNC(CCCN1CCN(c2ncc(F)cn2)CC1)C1CCCCC1
InChIInChI=1S/C18H30FN5/c19-16-13-21-18(22-14-16)24-11-9-23(10-12-24)8-4-7-17(20)15-5-2-1-3-6-15/h13-15,17H,1-12,20H2
InChIKeyNZNCPUIWHKCOGJ-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.43
Rot. Bonds6

About 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine

1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine (PubChem CID 15729927) has the molecular formula C18H30FN5 and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine
PubChem CID15729927
Molecular FormulaC18H30FN5
Molecular Weight335.47 g/mol
Exact Mass335.25
IUPAC Name1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine
SMILESNC(CCCN1CCN(c2ncc(F)cn2)CC1)C1CCCCC1
InChIInChI=1S/C18H30FN5/c19-16-13-21-18(22-14-16)24-11-9-23(10-12-24)8-4-7-17(20)15-5-2-1-3-6-15/h13-15,17H,1-12,20H2
InChIKeyNZNCPUIWHKCOGJ-UHFFFAOYSA-N
XLogP2.43
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine (CID 15729927) is 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine is NC(CCCN1CCN(c2ncc(F)cn2)CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine?
The InChIKey is NZNCPUIWHKCOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN5/c19-16-13-21-18(22-14-16)24-11-9-23(10-12-24)8-4-7-17(20)15-5-2-1-3-6-15/h13-15,17H,1-12,20H2.
What are the key properties of 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine?
1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine has a molecular weight of 335.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 15729927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).