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

C14H21ClFNO — CID 3048987

IUPAC3-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC(Cc1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C14H20FNO.ClH/c15-13-6-4-5-12(9-13)10-14(11-17)16-7-2-1-3-8-16;/h4-6,9,14,17H,1-3,7-8,10-11H2;1H
InChIKeyWVRLMCJBKJFGFV-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.64
Rot. Bonds4

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

3-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride (PubChem CID 3048987) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride
PubChem CID3048987
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name3-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC(Cc1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C14H20FNO.ClH/c15-13-6-4-5-12(9-13)10-14(11-17)16-7-2-1-3-8-16;/h4-6,9,14,17H,1-3,7-8,10-11H2;1H
InChIKeyWVRLMCJBKJFGFV-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of 3-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride (CID 3048987) is 3-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 3-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 3-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride is Cl.OCC(Cc1cccc(F)c1)N1CCCCC1.
What is the InChIKey of 3-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is WVRLMCJBKJFGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO.ClH/c15-13-6-4-5-12(9-13)10-14(11-17)16-7-2-1-3-8-16;/h4-6,9,14,17H,1-3,7-8,10-11H2;1H.
What are the key properties of 3-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride?
3-(3-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-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3048987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).