5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline

C15H23N3 — CID 62911812

IUPAC5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline
SMILESCc1ccc(N2CCN(CC3CC3)CC2)cc1N
InChIInChI=1S/C15H23N3/c1-12-2-5-14(10-15(12)16)18-8-6-17(7-9-18)11-13-3-4-13/h2,5,10,13H,3-4,6-9,11,16H2,1H3
InChIKeyYOYZVIPYDVJKCO-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.11
Rot. Bonds3

About 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline

5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline (PubChem CID 62911812) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline.

Molecular Properties

Compound Name5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline
PubChem CID62911812
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline
SMILESCc1ccc(N2CCN(CC3CC3)CC2)cc1N
InChIInChI=1S/C15H23N3/c1-12-2-5-14(10-15(12)16)18-8-6-17(7-9-18)11-13-3-4-13/h2,5,10,13H,3-4,6-9,11,16H2,1H3
InChIKeyYOYZVIPYDVJKCO-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline?
The IUPAC name of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline (CID 62911812) is 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline.
What is the SMILES notation for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline?
The canonical SMILES for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline is Cc1ccc(N2CCN(CC3CC3)CC2)cc1N.
What is the InChIKey of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline?
The InChIKey is YOYZVIPYDVJKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12-2-5-14(10-15(12)16)18-8-6-17(7-9-18)11-13-3-4-13/h2,5,10,13H,3-4,6-9,11,16H2,1H3.
What are the key properties of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline?
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline has a molecular weight of 245.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline is sourced from PubChem (CID 62911812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).