4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline

C17H25N3 — CID 115913106

IUPAC4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline
SMILESNc1ccc(C2(CN3CCN(C4CC4)CC3)CC2)cc1
InChIInChI=1S/C17H25N3/c18-15-3-1-14(2-4-15)17(7-8-17)13-19-9-11-20(12-10-19)16-5-6-16/h1-4,16H,5-13,18H2
InChIKeyLUECJUSHIVRTMJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.08
Rot. Bonds4

About 4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline

4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline (PubChem CID 115913106) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline
PubChem CID115913106
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline
SMILESNc1ccc(C2(CN3CCN(C4CC4)CC3)CC2)cc1
InChIInChI=1S/C17H25N3/c18-15-3-1-14(2-4-15)17(7-8-17)13-19-9-11-20(12-10-19)16-5-6-16/h1-4,16H,5-13,18H2
InChIKeyLUECJUSHIVRTMJ-UHFFFAOYSA-N
XLogP2.08
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline (CID 115913106) is 4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline is Nc1ccc(C2(CN3CCN(C4CC4)CC3)CC2)cc1.
What is the InChIKey of 4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline?
The InChIKey is LUECJUSHIVRTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c18-15-3-1-14(2-4-15)17(7-8-17)13-19-9-11-20(12-10-19)16-5-6-16/h1-4,16H,5-13,18H2.
What are the key properties of 4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline?
4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline has a molecular weight of 271.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline is sourced from PubChem (CID 115913106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).