4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline

C14H23N3 — CID 63621224

IUPAC4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
SMILESCc1cc(CN2CCN(C)C(C)C2)ccc1N
InChIInChI=1S/C14H23N3/c1-11-8-13(4-5-14(11)15)10-17-7-6-16(3)12(2)9-17/h4-5,8,12H,6-7,9-10,15H2,1-3H3
InChIKeyPAWQKIYBGIFBRW-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.71
Rot. Bonds2

About 4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline

4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline (PubChem CID 63621224) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
PubChem CID63621224
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
SMILESCc1cc(CN2CCN(C)C(C)C2)ccc1N
InChIInChI=1S/C14H23N3/c1-11-8-13(4-5-14(11)15)10-17-7-6-16(3)12(2)9-17/h4-5,8,12H,6-7,9-10,15H2,1-3H3
InChIKeyPAWQKIYBGIFBRW-UHFFFAOYSA-N
XLogP1.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.71
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

5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621067
2-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]aniline
CID 114547032
4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633710
4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 43584622
4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
CID 82973086
4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368664
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55216612
[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63634928
4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 61421994
4-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 98533465
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-fluorobenzonitrile
CID 103865064
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetic acid
CID 105346018

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline?
The IUPAC name of 4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline (CID 63621224) is 4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline.
What is the SMILES notation for 4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline?
The canonical SMILES for 4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline is Cc1cc(CN2CCN(C)C(C)C2)ccc1N.
What is the InChIKey of 4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline?
The InChIKey is PAWQKIYBGIFBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-8-13(4-5-14(11)15)10-17-7-6-16(3)12(2)9-17/h4-5,8,12H,6-7,9-10,15H2,1-3H3.
What are the key properties of 4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline?
4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline has a molecular weight of 233.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline is sourced from PubChem (CID 63621224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).