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

C15H25N3 — CID 43280408

IUPACN-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C15H25N3/c1-13(2)16-12-14-4-6-15(7-5-14)18-10-8-17(3)9-11-18/h4-7,13,16H,8-12H2,1-3H3
InChIKeyWRCLASGAARZNES-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.94
Rot. Bonds4

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

N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 43280408) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID43280408
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C15H25N3/c1-13(2)16-12-14-4-6-15(7-5-14)18-10-8-17(3)9-11-18/h4-7,13,16H,8-12H2,1-3H3
InChIKeyWRCLASGAARZNES-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43281242
[4-(4-methylpiperazin-1-yl)phenyl]methylhydrazine
CID 126609483
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 63624296
4-[[[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]amino]methyl]benzonitrile
CID 95582639
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943393
N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine
CID 106913336
(1R)-1-(2-methoxy-5-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 97256225
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
4-[4-[(propan-2-ylamino)methyl]phenyl]piperazin-2-one
CID 43281162
3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol
CID 79254755
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 110405180

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine (CID 43280408) is N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is WRCLASGAARZNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(2)16-12-14-4-6-15(7-5-14)18-10-8-17(3)9-11-18/h4-7,13,16H,8-12H2,1-3H3.
What are the key properties of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43280408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).