2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine

C10H18F3N3 — CID 61440127

IUPAC2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CCN(C2CC2)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3/c11-10(12,13)9(7-14)16-5-3-15(4-6-16)8-1-2-8/h8-9H,1-7,14H2
InChIKeyMKKAZCLYNUIAHD-UHFFFAOYSA-N
MW237.27 g/mol
LogP0.66
Rot. Bonds3

About 2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine

2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 61440127) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID61440127
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CCN(C2CC2)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3/c11-10(12,13)9(7-14)16-5-3-15(4-6-16)8-1-2-8/h8-9H,1-7,14H2
InChIKeyMKKAZCLYNUIAHD-UHFFFAOYSA-N
XLogP0.66
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine (CID 61440127) is 2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine is NCC(N1CCN(C2CC2)CC1)C(F)(F)F.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is MKKAZCLYNUIAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3/c11-10(12,13)9(7-14)16-5-3-15(4-6-16)8-1-2-8/h8-9H,1-7,14H2.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine?
2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 237.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 61440127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).