2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline

C27H40N4 — CID 15840984

IUPAC2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline
SMILESCN1CCN(c2ccccc2NCCCCCN2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C27H40N4/c1-29-20-22-31(23-21-29)27-13-7-6-12-26(27)28-16-8-3-9-17-30-18-14-25(15-19-30)24-10-4-2-5-11-24/h2,4-7,10-13,25,28H,3,8-9,14-23H2,1H3
InChIKeySVHTTXGVVFIOMZ-UHFFFAOYSA-N
MW420.65 g/mol
LogP4.90
Rot. Bonds9

About 2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline

2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline (PubChem CID 15840984) has the molecular formula C27H40N4 and a molecular weight of 420.65 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline
PubChem CID15840984
Molecular FormulaC27H40N4
Molecular Weight420.65 g/mol
Exact Mass420.33
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline
SMILESCN1CCN(c2ccccc2NCCCCCN2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C27H40N4/c1-29-20-22-31(23-21-29)27-13-7-6-12-26(27)28-16-8-3-9-17-30-18-14-25(15-19-30)24-10-4-2-5-11-24/h2,4-7,10-13,25,28H,3,8-9,14-23H2,1H3
InChIKeySVHTTXGVVFIOMZ-UHFFFAOYSA-N
XLogP4.90
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.65
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline (CID 15840984) is 2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline is CN1CCN(c2ccccc2NCCCCCN2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline?
The InChIKey is SVHTTXGVVFIOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4/c1-29-20-22-31(23-21-29)27-13-7-6-12-26(27)28-16-8-3-9-17-30-18-14-25(15-19-30)24-10-4-2-5-11-24/h2,4-7,10-13,25,28H,3,8-9,14-23H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline?
2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline has a molecular weight of 420.65 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline is sourced from PubChem (CID 15840984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).