(4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride

C15H23ClFNO — CID 155074654

IUPAC(4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
SMILESCCC[C@H]1CCCC(C(O)c2ccc(F)cc2)N1.Cl
InChIInChI=1S/C15H22FNO.ClH/c1-2-4-13-5-3-6-14(17-13)15(18)11-7-9-12(16)10-8-11;/h7-10,13-15,17-18H,2-6H2,1H3;1H/t13-,14?,15?;/m0./s1
InChIKeyXFOSQZYZRDSNQF-PGXLAGJCSA-N
MW287.81 g/mol
LogP3.59
Rot. Bonds4

About (4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride

(4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride (PubChem CID 155074654) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is (4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
PubChem CID155074654
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name(4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
SMILESCCC[C@H]1CCCC(C(O)c2ccc(F)cc2)N1.Cl
InChIInChI=1S/C15H22FNO.ClH/c1-2-4-13-5-3-6-14(17-13)15(18)11-7-9-12(16)10-8-11;/h7-10,13-15,17-18H,2-6H2,1H3;1H/t13-,14?,15?;/m0./s1
InChIKeyXFOSQZYZRDSNQF-PGXLAGJCSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride?
The IUPAC name of (4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride (CID 155074654) is (4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for (4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride?
The canonical SMILES for (4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride is CCC[C@H]1CCCC(C(O)c2ccc(F)cc2)N1.Cl.
What is the InChIKey of (4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride?
The InChIKey is XFOSQZYZRDSNQF-PGXLAGJCSA-N. The full InChI is InChI=1S/C15H22FNO.ClH/c1-2-4-13-5-3-6-14(17-13)15(18)11-7-9-12(16)10-8-11;/h7-10,13-15,17-18H,2-6H2,1H3;1H/t13-,14?,15?;/m0./s1.
What are the key properties of (4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride?
(4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride has a molecular weight of 287.81 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 155074654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).