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

C15H25N3 — CID 117372127

IUPAC2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
SMILESCC(CN)c1ccccc1CN1CCN(C)CC1
InChIInChI=1S/C15H25N3/c1-13(11-16)15-6-4-3-5-14(15)12-18-9-7-17(2)8-10-18/h3-6,13H,7-12,16H2,1-2H3
InChIKeyDAWCHJNGDQNUPO-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.50
Rot. Bonds4

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

2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine (PubChem CID 117372127) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
PubChem CID117372127
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
SMILESCC(CN)c1ccccc1CN1CCN(C)CC1
InChIInChI=1S/C15H25N3/c1-13(11-16)15-6-4-3-5-14(15)12-18-9-7-17(2)8-10-18/h3-6,13H,7-12,16H2,1-2H3
InChIKeyDAWCHJNGDQNUPO-UHFFFAOYSA-N
XLogP1.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-2-amine
CID 117372131
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
3-amino-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propanoic acid
CID 117444735
methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate
CID 117446352
1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one
CID 58774771
2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline
CID 115039830
2-(2-propan-2-ylphenyl)propan-1-amine
CID 82599641
2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol
CID 115040340
[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
CID 107113059
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine
CID 140875365
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine
CID 84778035

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine (CID 117372127) is 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine is CC(CN)c1ccccc1CN1CCN(C)CC1.
What is the InChIKey of 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine?
The InChIKey is DAWCHJNGDQNUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(11-16)15-6-4-3-5-14(15)12-18-9-7-17(2)8-10-18/h3-6,13H,7-12,16H2,1-2H3.
What are the key properties of 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine?
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 117372127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).