N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine

C14H21N3 — CID 169474344

IUPACN-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine
SMILESCNCC=Cc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H21N3/c1-15-8-2-3-13-4-6-14(7-5-13)17-11-9-16-10-12-17/h2-7,15-16H,8-12H2,1H3
InChIKeyUZBFNUCKLPRTAX-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.33
Rot. Bonds4

About N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine

N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine (PubChem CID 169474344) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine
PubChem CID169474344
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine
SMILESCNCC=Cc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H21N3/c1-15-8-2-3-13-4-6-14(7-5-13)17-11-9-16-10-12-17/h2-7,15-16H,8-12H2,1H3
InChIKeyUZBFNUCKLPRTAX-UHFFFAOYSA-N
XLogP1.33
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine (CID 169474344) is N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine is CNCC=Cc1ccc(N2CCNCC2)cc1.
What is the InChIKey of N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine?
The InChIKey is UZBFNUCKLPRTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-15-8-2-3-13-4-6-14(7-5-13)17-11-9-16-10-12-17/h2-7,15-16H,8-12H2,1H3.
What are the key properties of N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine?
N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 169474344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).