1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine

C14H22FN3O — CID 116946740

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)N2CCNCC2)cc1F
InChIInChI=1S/C14H22FN3O/c1-10(18-7-5-17-6-8-18)14(16)11-3-4-13(19-2)12(15)9-11/h3-4,9-10,14,17H,5-8,16H2,1-2H3
InChIKeyNNVUJHUYWQSFAS-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.13
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine

1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine (PubChem CID 116946740) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine
PubChem CID116946740
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)N2CCNCC2)cc1F
InChIInChI=1S/C14H22FN3O/c1-10(18-7-5-17-6-8-18)14(16)11-3-4-13(19-2)12(15)9-11/h3-4,9-10,14,17H,5-8,16H2,1-2H3
InChIKeyNNVUJHUYWQSFAS-UHFFFAOYSA-N
XLogP1.13
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-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

1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
1-[(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182335
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304379
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171275028
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171168816
1-[(R)-cyclohexyl-(3-fluoro-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287647
1-[(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methyl]-1,4-diazepane
CID 4300406
1-[(1R)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine
CID 171168840
(3R)-3-(3-fluoro-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173484
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
CID 171163686
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116946739

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine (CID 116946740) is 1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine is COc1ccc(C(N)C(C)N2CCNCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine?
The InChIKey is NNVUJHUYWQSFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10(18-7-5-17-6-8-18)14(16)11-3-4-13(19-2)12(15)9-11/h3-4,9-10,14,17H,5-8,16H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine has a molecular weight of 267.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116946740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).