2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol

C16H25FN2O2 — CID 82685405

IUPAC2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol
SMILESNC(CCN1CCC(OCCO)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O2/c17-14-3-1-13(2-4-14)16(18)7-10-19-8-5-15(6-9-19)21-12-11-20/h1-4,15-16,20H,5-12,18H2
InChIKeyRXJSGUSNSIVSEZ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.69
Rot. Bonds7

About 2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol

2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol (PubChem CID 82685405) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol
PubChem CID82685405
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol
SMILESNC(CCN1CCC(OCCO)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O2/c17-14-3-1-13(2-4-14)16(18)7-10-19-8-5-15(6-9-19)21-12-11-20/h1-4,15-16,20H,5-12,18H2
InChIKeyRXJSGUSNSIVSEZ-UHFFFAOYSA-N
XLogP1.69
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645202
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol
CID 82685637
3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 65281721
3-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126355
[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
CID 62643895
2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 115883414
2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol
CID 82691104
[1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate
CID 174377756
3-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-4-yl]oxypropan-1-amine
CID 79736370
2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol
CID 82012443

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol (CID 82685405) is 2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol is NC(CCN1CCC(OCCO)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol?
The InChIKey is RXJSGUSNSIVSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c17-14-3-1-13(2-4-14)16(18)7-10-19-8-5-15(6-9-19)21-12-11-20/h1-4,15-16,20H,5-12,18H2.
What are the key properties of 2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol?
2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol has a molecular weight of 296.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82685405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).