1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine

C20H33N3O — CID 170863761

IUPAC1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2ccccc2OCCN2CCCC2)CC1
InChIInChI=1S/C20H33N3O/c1-21-13-15-23(16-14-21)12-6-8-19-7-2-3-9-20(19)24-18-17-22-10-4-5-11-22/h2-3,7,9H,4-6,8,10-18H2,1H3
InChIKeyPNPYNEZYWQRNPI-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.34
Rot. Bonds8

About 1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine

1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine (PubChem CID 170863761) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
PubChem CID170863761
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2ccccc2OCCN2CCCC2)CC1
InChIInChI=1S/C20H33N3O/c1-21-13-15-23(16-14-21)12-6-8-19-7-2-3-9-20(19)24-18-17-22-10-4-5-11-22/h2-3,7,9H,4-6,8,10-18H2,1H3
InChIKeyPNPYNEZYWQRNPI-UHFFFAOYSA-N
XLogP2.34
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine 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

1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
1-[2-(2-octylphenoxy)ethyl]piperidine chloride
CID 21228798
1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine
CID 170862374
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 107713118
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 2996618

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine (CID 170863761) is 1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine is CN1CCN(CCCc2ccccc2OCCN2CCCC2)CC1.
What is the InChIKey of 1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine?
The InChIKey is PNPYNEZYWQRNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-21-13-15-23(16-14-21)12-6-8-19-7-2-3-9-20(19)24-18-17-22-10-4-5-11-22/h2-3,7,9H,4-6,8,10-18H2,1H3.
What are the key properties of 1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine?
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine has a molecular weight of 331.50 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine is sourced from PubChem (CID 170863761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).