5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline

C20H34N4 — CID 167014309

IUPAC5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline
SMILESCCCc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1N
InChIInChI=1S/C20H34N4/c1-4-5-17-15-20(16(2)14-19(17)21)24-8-6-18(7-9-24)23-12-10-22(3)11-13-23/h14-15,18H,4-13,21H2,1-3H3
InChIKeyPHEGGDOSNOXGKO-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.75
Rot. Bonds4

About 5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline

5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline (PubChem CID 167014309) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline.

Molecular Properties

Compound Name5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline
PubChem CID167014309
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC Name5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline
SMILESCCCc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1N
InChIInChI=1S/C20H34N4/c1-4-5-17-15-20(16(2)14-19(17)21)24-8-6-18(7-9-24)23-12-10-22(3)11-13-23/h14-15,18H,4-13,21H2,1-3H3
InChIKeyPHEGGDOSNOXGKO-UHFFFAOYSA-N
XLogP2.75
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine
CID 175689373
tert-butyl 4-[1-(4-amino-5-ethoxy-2-methylphenyl)piperidin-4-yl]piperazine-1-carboxylate
CID 163939977
4-[2-methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-pyrimidine-4,6-diamine
CID 167451153
5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline
CID 135211742
5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 155240094
4-[4-(azetidin-1-yl)piperidin-1-yl]-3-methylaniline
CID 142621533
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
4-(4-cyclopropylpiperazin-1-yl)-3-methylaniline
CID 61440602
ethane;5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;1-[1-(2-ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine;methane
CID 167595027
4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 62590147
2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline
CID 114281233
1-[1-(2-ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
CID 163617744

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline?
The IUPAC name of 5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline (CID 167014309) is 5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline.
What is the SMILES notation for 5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline?
The canonical SMILES for 5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline is CCCc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1N.
What is the InChIKey of 5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline?
The InChIKey is PHEGGDOSNOXGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4/c1-4-5-17-15-20(16(2)14-19(17)21)24-8-6-18(7-9-24)23-12-10-22(3)11-13-23/h14-15,18H,4-13,21H2,1-3H3.
What are the key properties of 5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline?
5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline has a molecular weight of 330.52 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline is sourced from PubChem (CID 167014309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).