3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride

C14H21ClFNO — CID 3048989

IUPAC3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC(Cc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C14H20FNO.ClH/c15-13-6-4-12(5-7-13)10-14(11-17)16-8-2-1-3-9-16;/h4-7,14,17H,1-3,8-11H2;1H
InChIKeyWDHZFAXFLGIONW-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.64
Rot. Bonds4

About 3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride

3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride (PubChem CID 3048989) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride
PubChem CID3048989
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC(Cc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C14H20FNO.ClH/c15-13-6-4-12(5-7-13)10-14(11-17)16-8-2-1-3-9-16;/h4-7,14,17H,1-3,8-11H2;1H
InChIKeyWDHZFAXFLGIONW-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(-)-Vesamicol
CID 659840
Vesamicol
CID 5662
(-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
CID 2734218
Vesamicol hydrochloride
CID 212231
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol
CID 833992
Vesamicol hydrochloride, (+/-)-
CID 6603219
Cyclohexanol, 2-(4-(phenylmethyl)-1-piperidinyl)-, trans-(+-)-
CID 3078230
4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CID 10176880
(+/-)-threo-3-Fluororitalinol
CID 52947218
[1-Cyclobutyl-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 23723713
(4-Benzyl-1-methylpiperidin-4-yl)methanol
CID 16191162
1-Piperazineethanol, beta-benzyl-4-methyl-
CID 201863

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride (CID 3048989) is 3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride is Cl.OCC(Cc1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is WDHZFAXFLGIONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO.ClH/c15-13-6-4-12(5-7-13)10-14(11-17)16-8-2-1-3-9-16;/h4-7,14,17H,1-3,8-11H2;1H.
What are the key properties of 3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride?
3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 273.78 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3048989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).