4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline

C17H28N4 — CID 112719835

IUPAC4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline
SMILESCN1CCN(c2ccc(NCC3CCNCC3)cc2)CC1
InChIInChI=1S/C17H28N4/c1-20-10-12-21(13-11-20)17-4-2-16(3-5-17)19-14-15-6-8-18-9-7-15/h2-5,15,18-19H,6-14H2,1H3
InChIKeyMMUQEAKLLFYRST-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.85
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline

4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline (PubChem CID 112719835) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline
PubChem CID112719835
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline
SMILESCN1CCN(c2ccc(NCC3CCNCC3)cc2)CC1
InChIInChI=1S/C17H28N4/c1-20-10-12-21(13-11-20)17-4-2-16(3-5-17)19-14-15-6-8-18-9-7-15/h2-5,15,18-19H,6-14H2,1H3
InChIKeyMMUQEAKLLFYRST-UHFFFAOYSA-N
XLogP1.85
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline (CID 112719835) is 4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline is CN1CCN(c2ccc(NCC3CCNCC3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is MMUQEAKLLFYRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-20-10-12-21(13-11-20)17-4-2-16(3-5-17)19-14-15-6-8-18-9-7-15/h2-5,15,18-19H,6-14H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline?
4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 288.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 112719835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).