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

C15H23FN2O — CID 62644418

IUPAC[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol
SMILESNC(CCN1CCC(CO)CC1)c1ccccc1F
InChIInChI=1S/C15H23FN2O/c16-14-4-2-1-3-13(14)15(17)7-10-18-8-5-12(11-19)6-9-18/h1-4,12,15,19H,5-11,17H2
InChIKeyDIAIJZZOIKDTTH-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.92
Rot. Bonds5

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

[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol (PubChem CID 62644418) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol
PubChem CID62644418
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol
SMILESNC(CCN1CCC(CO)CC1)c1ccccc1F
InChIInChI=1S/C15H23FN2O/c16-14-4-2-1-3-13(14)15(17)7-10-18-8-5-12(11-19)6-9-18/h1-4,12,15,19H,5-11,17H2
InChIKeyDIAIJZZOIKDTTH-UHFFFAOYSA-N
XLogP1.92
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939924
1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 62643929
1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 112629223
[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
CID 62643895
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643618
3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643340
1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62643582
3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 65281767
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643237
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62643379
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 63635824
1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474862

Frequently Asked Questions

What is the IUPAC name of [1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol (CID 62644418) is [1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol is NC(CCN1CCC(CO)CC1)c1ccccc1F.
What is the InChIKey of [1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol?
The InChIKey is DIAIJZZOIKDTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c16-14-4-2-1-3-13(14)15(17)7-10-18-8-5-12(11-19)6-9-18/h1-4,12,15,19H,5-11,17H2.
What are the key properties of [1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol?
[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol has a molecular weight of 266.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol is sourced from PubChem (CID 62644418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).