4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline

C14H19F2N3O — CID 67325963

IUPAC4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline
SMILESNc1ccc(N2CCN(C3CC3)CC2)cc1OC(F)F
InChIInChI=1S/C14H19F2N3O/c15-14(16)20-13-9-11(3-4-12(13)17)19-7-5-18(6-8-19)10-1-2-10/h3-4,9-10,14H,1-2,5-8,17H2
InChIKeyKDPZSAIREZPTQR-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.15
Rot. Bonds4

About 4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline

4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline (PubChem CID 67325963) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline.

Molecular Properties

Compound Name4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline
PubChem CID67325963
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline
SMILESNc1ccc(N2CCN(C3CC3)CC2)cc1OC(F)F
InChIInChI=1S/C14H19F2N3O/c15-14(16)20-13-9-11(3-4-12(13)17)19-7-5-18(6-8-19)10-1-2-10/h3-4,9-10,14H,1-2,5-8,17H2
InChIKeyKDPZSAIREZPTQR-UHFFFAOYSA-N
XLogP2.15
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline?
The IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline (CID 67325963) is 4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline.
What is the SMILES notation for 4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline?
The canonical SMILES for 4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline is Nc1ccc(N2CCN(C3CC3)CC2)cc1OC(F)F.
What is the InChIKey of 4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline?
The InChIKey is KDPZSAIREZPTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-14(16)20-13-9-11(3-4-12(13)17)19-7-5-18(6-8-19)10-1-2-10/h3-4,9-10,14H,1-2,5-8,17H2.
What are the key properties of 4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline?
4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline has a molecular weight of 283.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline is sourced from PubChem (CID 67325963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).