3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine

C19H25N3O — CID 21136388

IUPAC3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C19H25N3O/c20-11-6-12-21-13-15-22(16-14-21)18-9-4-5-10-19(18)23-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16,20H2
InChIKeyFDIVANCCIWOXIR-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.95
Rot. Bonds6

About 3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine

3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine (PubChem CID 21136388) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine
PubChem CID21136388
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C19H25N3O/c20-11-6-12-21-13-15-22(16-14-21)18-9-4-5-10-19(18)23-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16,20H2
InChIKeyFDIVANCCIWOXIR-UHFFFAOYSA-N
XLogP2.95
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-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

3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine
CID 21473467
4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
CID 51357649
3-[4-(2-phenylphenyl)piperazin-1-yl]propan-1-amine
CID 140972357
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21473441
1-(2-phenoxyphenyl)piperazine
CID 12996705
4-(2-phenoxyphenyl)morpholine
CID 518097
5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole
CID 10143502
4-(2-phenoxyphenyl)piperazine-1-carboxylic acid
CID 69365600
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
3-[4-(2-methylsulfonylphenyl)piperazin-1-yl]propan-1-amine
CID 60871423

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine (CID 21136388) is 3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine is NCCCN1CCN(c2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of 3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine?
The InChIKey is FDIVANCCIWOXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c20-11-6-12-21-13-15-22(16-14-21)18-9-4-5-10-19(18)23-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16,20H2.
What are the key properties of 3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine?
3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine has a molecular weight of 311.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 21136388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).