N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine

C15H25N3 — CID 153390444

IUPACN-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine
SMILESCCCN(C)Cc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C15H25N3/c1-3-10-17(2)13-14-4-6-15(7-5-14)18-11-8-16-9-12-18/h4-7,16H,3,8-13H2,1-2H3
InChIKeyYPAMDUMMHNRVHV-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine

N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine (PubChem CID 153390444) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine
PubChem CID153390444
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine
SMILESCCCN(C)Cc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C15H25N3/c1-3-10-17(2)13-14-4-6-15(7-5-14)18-11-8-16-9-12-18/h4-7,16H,3,8-13H2,1-2H3
InChIKeyYPAMDUMMHNRVHV-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine (CID 153390444) is N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine is CCCN(C)Cc1ccc(N2CCNCC2)cc1.
What is the InChIKey of N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine?
The InChIKey is YPAMDUMMHNRVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-10-17(2)13-14-4-6-15(7-5-14)18-11-8-16-9-12-18/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine?
N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 153390444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).