4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline

C15H25N3O — CID 86698005

IUPAC4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(CN2CCN(C)CC2)ccc1N
InChIInChI=1S/C15H25N3O/c1-12(2)19-15-10-13(4-5-14(15)16)11-18-8-6-17(3)7-9-18/h4-5,10,12H,6-9,11,16H2,1-3H3
InChIKeyYZIWFJRXUIJATR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.80
Rot. Bonds4

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

4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline (PubChem CID 86698005) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline
PubChem CID86698005
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(CN2CCN(C)CC2)ccc1N
InChIInChI=1S/C15H25N3O/c1-12(2)19-15-10-13(4-5-14(15)16)11-18-8-6-17(3)7-9-18/h4-5,10,12H,6-9,11,16H2,1-3H3
InChIKeyYZIWFJRXUIJATR-UHFFFAOYSA-N
XLogP1.80
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 176916654
4-ethyl-2-propan-2-yloxyaniline
CID 91557957
2-fluoro-5-[(4-methylpiperazin-1-yl)methyl]aniline
CID 84789213
[4-(azepan-1-ylmethyl)-2-propan-2-yloxyphenyl]methanamine
CID 84754923
4-(methoxymethyl)-2-propan-2-yloxyaniline
CID 154827606
2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)methyl]aniline
CID 63188505
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
4-chloro-2-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline
CID 82037680
1-tert-butyl-4-[(4-chloro-3-propan-2-yloxyphenyl)methyl]piperazine
CID 163406015
4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline
CID 83005099
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
CID 94759879

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline (CID 86698005) is 4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline is CC(C)Oc1cc(CN2CCN(C)CC2)ccc1N.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline?
The InChIKey is YZIWFJRXUIJATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)19-15-10-13(4-5-14(15)16)11-18-8-6-17(3)7-9-18/h4-5,10,12H,6-9,11,16H2,1-3H3.
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline?
4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline has a molecular weight of 263.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 86698005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).