N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine

C18H29N3O2 — CID 142409443

IUPACN-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine
SMILESC=C(CN1CCN(CCOCCOc2ccccc2)CC1)NC
InChIInChI=1S/C18H29N3O2/c1-17(19-2)16-21-10-8-20(9-11-21)12-13-22-14-15-23-18-6-4-3-5-7-18/h3-7,19H,1,8-16H2,2H3
InChIKeyBAMXKXSWJBJOKM-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.43
Rot. Bonds10

About N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine

N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine (PubChem CID 142409443) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine
PubChem CID142409443
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine
SMILESC=C(CN1CCN(CCOCCOc2ccccc2)CC1)NC
InChIInChI=1S/C18H29N3O2/c1-17(19-2)16-21-10-8-20(9-11-21)12-13-22-14-15-23-18-6-4-3-5-7-18/h3-7,19H,1,8-16H2,2H3
InChIKeyBAMXKXSWJBJOKM-UHFFFAOYSA-N
XLogP1.43
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2995910
1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
CID 44828390
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148
1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine
CID 166183602
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine?
The IUPAC name of N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine (CID 142409443) is N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine.
What is the SMILES notation for N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine?
The canonical SMILES for N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine is C=C(CN1CCN(CCOCCOc2ccccc2)CC1)NC.
What is the InChIKey of N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine?
The InChIKey is BAMXKXSWJBJOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-17(19-2)16-21-10-8-20(9-11-21)12-13-22-14-15-23-18-6-4-3-5-7-18/h3-7,19H,1,8-16H2,2H3.
What are the key properties of N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine?
N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine has a molecular weight of 319.45 g/mol, XLogP of 1.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine is sourced from PubChem (CID 142409443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).