4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline

C15H23N3 — CID 61440083

IUPAC4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline
SMILESNc1ccc(CCN2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C15H23N3/c16-14-3-1-13(2-4-14)7-8-17-9-11-18(12-10-17)15-5-6-15/h1-4,15H,5-12,16H2
InChIKeyDELHXHAMWLPPCA-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.59
Rot. Bonds4

About 4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline

4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline (PubChem CID 61440083) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline
PubChem CID61440083
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline
SMILESNc1ccc(CCN2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C15H23N3/c16-14-3-1-13(2-4-14)7-8-17-9-11-18(12-10-17)15-5-6-15/h1-4,15H,5-12,16H2
InChIKeyDELHXHAMWLPPCA-UHFFFAOYSA-N
XLogP1.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline
CID 155109173
3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
CID 61116139
4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]aniline
CID 62966638
4-[2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethyl]aniline
CID 15294221
1-[2-(4-aminophenyl)ethyl]pyrrolidin-3-ol
CID 62941498
4-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]aniline
CID 113335546
3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171652178
4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline
CID 115913106
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
1-(azetidin-3-yl)-4-(2-phenylethyl)piperazine
CID 66202494
ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate
CID 22668702
4-[2-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethyl]aniline
CID 84785591

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline (CID 61440083) is 4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline is Nc1ccc(CCN2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline?
The InChIKey is DELHXHAMWLPPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-14-3-1-13(2-4-14)7-8-17-9-11-18(12-10-17)15-5-6-15/h1-4,15H,5-12,16H2.
What are the key properties of 4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline?
4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline has a molecular weight of 245.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 61440083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).