[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine

C15H25N3 — CID 63604707

IUPAC[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCN1CCN(Cc2ccc(CN)cc2)CC1(C)C
InChIInChI=1S/C15H25N3/c1-15(2)12-18(9-8-17(15)3)11-14-6-4-13(10-16)5-7-14/h4-7H,8-12,16H2,1-3H3
InChIKeyWBFIMOWWIKWCGH-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.67
Rot. Bonds3

About [4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine

[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 63604707) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is [4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID63604707
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCN1CCN(Cc2ccc(CN)cc2)CC1(C)C
InChIInChI=1S/C15H25N3/c1-15(2)12-18(9-8-17(15)3)11-14-6-4-13(10-16)5-7-14/h4-7H,8-12,16H2,1-3H3
InChIKeyWBFIMOWWIKWCGH-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine (CID 63604707) is [4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine is CN1CCN(Cc2ccc(CN)cc2)CC1(C)C.
What is the InChIKey of [4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is WBFIMOWWIKWCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2)12-18(9-8-17(15)3)11-14-6-4-13(10-16)5-7-14/h4-7H,8-12,16H2,1-3H3.
What are the key properties of [4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine?
[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 63604707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).