2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline

C15H23N3 — CID 177203986

IUPAC2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline
SMILESCCN1CCN(c2ccc(N)c(C3CC3)c2)CC1
InChIInChI=1S/C15H23N3/c1-2-17-7-9-18(10-8-17)13-5-6-15(16)14(11-13)12-3-4-12/h5-6,11-12H,2-4,7-10,16H2,1H3
InChIKeyWQZKINUGTHTGIL-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.29
Rot. Bonds3

About 2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline

2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline (PubChem CID 177203986) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline
PubChem CID177203986
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline
SMILESCCN1CCN(c2ccc(N)c(C3CC3)c2)CC1
InChIInChI=1S/C15H23N3/c1-2-17-7-9-18(10-8-17)13-5-6-15(16)14(11-13)12-3-4-12/h5-6,11-12H,2-4,7-10,16H2,1H3
InChIKeyWQZKINUGTHTGIL-UHFFFAOYSA-N
XLogP2.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.29
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 2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline?
The IUPAC name of 2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline (CID 177203986) is 2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline.
What is the SMILES notation for 2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline?
The canonical SMILES for 2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline is CCN1CCN(c2ccc(N)c(C3CC3)c2)CC1.
What is the InChIKey of 2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline?
The InChIKey is WQZKINUGTHTGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-17-7-9-18(10-8-17)13-5-6-15(16)14(11-13)12-3-4-12/h5-6,11-12H,2-4,7-10,16H2,1H3.
What are the key properties of 2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline?
2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline has a molecular weight of 245.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline is sourced from PubChem (CID 177203986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).