2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline

C15H23N3 — CID 176916654

IUPAC2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline
SMILESCN1CCN(Cc2ccc(N)c(C3CC3)c2)CC1
InChIInChI=1S/C15H23N3/c1-17-6-8-18(9-7-17)11-12-2-5-15(16)14(10-12)13-3-4-13/h2,5,10,13H,3-4,6-9,11,16H2,1H3
InChIKeyDWNHAJCXCMJDGW-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.89
Rot. Bonds3

About 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline

2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline (PubChem CID 176916654) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline
PubChem CID176916654
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline
SMILESCN1CCN(Cc2ccc(N)c(C3CC3)c2)CC1
InChIInChI=1S/C15H23N3/c1-17-6-8-18(9-7-17)11-12-2-5-15(16)14(10-12)13-3-4-13/h2,5,10,13H,3-4,6-9,11,16H2,1H3
InChIKeyDWNHAJCXCMJDGW-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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-methylpiperazin-1-yl)methyl]aniline?
The IUPAC name of 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline (CID 176916654) is 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline.
What is the SMILES notation for 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline?
The canonical SMILES for 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline is CN1CCN(Cc2ccc(N)c(C3CC3)c2)CC1.
What is the InChIKey of 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline?
The InChIKey is DWNHAJCXCMJDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-6-8-18(9-7-17)11-12-2-5-15(16)14(10-12)13-3-4-13/h2,5,10,13H,3-4,6-9,11,16H2,1H3.
What are the key properties of 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline?
2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline has a molecular weight of 245.37 g/mol, XLogP of 1.89, 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-methylpiperazin-1-yl)methyl]aniline is sourced from PubChem (CID 176916654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).