2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline

C14H23N3 — CID 115039830

IUPAC2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline
SMILESCC(CN1CCN(C)CC1)c1ccccc1N
InChIInChI=1S/C14H23N3/c1-12(13-5-3-4-6-14(13)15)11-17-9-7-16(2)8-10-17/h3-6,12H,7-11,15H2,1-2H3
InChIKeyQHJGTLWOLFFZCR-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.62
Rot. Bonds3

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

2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline (PubChem CID 115039830) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline
PubChem CID115039830
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline
SMILESCC(CN1CCN(C)CC1)c1ccccc1N
InChIInChI=1S/C14H23N3/c1-12(13-5-3-4-6-14(13)15)11-17-9-7-16(2)8-10-17/h3-6,12H,7-11,15H2,1-2H3
InChIKeyQHJGTLWOLFFZCR-UHFFFAOYSA-N
XLogP1.62
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol
CID 115040340
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 117372127
2-(1-aminopropan-2-yl)aniline;dihydrochloride
CID 131857142
ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine
CID 143114244
(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 93102230
1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 16780971
[2-(1-morpholin-4-ylpropan-2-yl)phenyl]methanamine
CID 115040341
2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
CID 22184577
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
2-(1-piperazin-1-ylpropan-2-yl)phenol
CID 83837907
1-(2-aminophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 62265781

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline?
The IUPAC name of 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline (CID 115039830) is 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline.
What is the SMILES notation for 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline?
The canonical SMILES for 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline is CC(CN1CCN(C)CC1)c1ccccc1N.
What is the InChIKey of 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline?
The InChIKey is QHJGTLWOLFFZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(13-5-3-4-6-14(13)15)11-17-9-7-16(2)8-10-17/h3-6,12H,7-11,15H2,1-2H3.
What are the key properties of 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline?
2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline has a molecular weight of 233.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline is sourced from PubChem (CID 115039830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).