1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine

C16H24FN3 — CID 63815512

IUPAC1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H24FN3/c1-12(18)10-13-11-14(17)2-5-16(13)20-8-6-19(7-9-20)15-3-4-15/h2,5,11-12,15H,3-4,6-10,18H2,1H3
InChIKeyXZVHQHGPJCCQLX-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.00
Rot. Bonds4

About 1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine

1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine (PubChem CID 63815512) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine
PubChem CID63815512
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H24FN3/c1-12(18)10-13-11-14(17)2-5-16(13)20-8-6-19(7-9-20)15-3-4-15/h2,5,11-12,15H,3-4,6-10,18H2,1H3
InChIKeyXZVHQHGPJCCQLX-UHFFFAOYSA-N
XLogP2.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine
CID 63817266
1-[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63794163
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine
CID 63815975
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]propan-2-amine
CID 115562562
1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-5-fluorophenyl]propan-2-amine
CID 107459857
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 55236984
1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469750
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine
CID 63785668
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine
CID 79924766
[2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol
CID 62774818

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine (CID 63815512) is 1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine is CC(N)Cc1cc(F)ccc1N1CCN(C2CC2)CC1.
What is the InChIKey of 1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine?
The InChIKey is XZVHQHGPJCCQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-12(18)10-13-11-14(17)2-5-16(13)20-8-6-19(7-9-20)15-3-4-15/h2,5,11-12,15H,3-4,6-10,18H2,1H3.
What are the key properties of 1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine?
1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine has a molecular weight of 277.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 63815512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).