1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine

C21H25FN2O2 — CID 166397220

IUPAC1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine
SMILESCC(CNC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2/c1-15(16-2-4-17(22)5-3-16)13-23-18-8-10-24(11-9-18)19-6-7-20-21(12-19)26-14-25-20/h2-7,12,15,18,23H,8-11,13-14H2,1H3
InChIKeyNUBAIOSFIIBGOA-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.92
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine

1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine (PubChem CID 166397220) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine
PubChem CID166397220
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine
SMILESCC(CNC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2/c1-15(16-2-4-17(22)5-3-16)13-23-18-8-10-24(11-9-18)19-6-7-20-21(12-19)26-14-25-20/h2-7,12,15,18,23H,8-11,13-14H2,1H3
InChIKeyNUBAIOSFIIBGOA-UHFFFAOYSA-N
XLogP3.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-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

methyl N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]carbamate
CID 7177996
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-propan-2-yloxamide
CID 30673919
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide
CID 7178033
2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide
CID 56706649
[(2S)-2-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]azanium
CID 9079135
[(2R)-2-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]azanium
CID 9079129
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-fluoroaniline
CID 43194656
N'-[2-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N-(2-methoxyethyl)oxamide
CID 18574689
N'-[2-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N-butyloxamide
CID 18574688
1-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)ethanol
CID 60896946
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 43689424
N'-[2-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N-(oxolan-2-ylmethyl)oxamide
CID 16812792

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine (CID 166397220) is 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine is CC(CNC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine?
The InChIKey is NUBAIOSFIIBGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15(16-2-4-17(22)5-3-16)13-23-18-8-10-24(11-9-18)19-6-7-20-21(12-19)26-14-25-20/h2-7,12,15,18,23H,8-11,13-14H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine?
1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine has a molecular weight of 356.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine is sourced from PubChem (CID 166397220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).