[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride

C12H17ClFNO — CID 71776877

IUPAC[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CNCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO.ClH/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15;/h1-4,10,12,14-15H,5-8H2;1H/t10-,12-;/m0./s1
InChIKeyKIGXYHWSOJVZNA-JGAZGGJJSA-N
MW245.72 g/mol
LogP1.93
Rot. Bonds2

About [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride

[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride (PubChem CID 71776877) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride
PubChem CID71776877
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CNCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO.ClH/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15;/h1-4,10,12,14-15H,5-8H2;1H/t10-,12-;/m0./s1
InChIKeyKIGXYHWSOJVZNA-JGAZGGJJSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride?
The IUPAC name of [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride (CID 71776877) is [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride is Cl.OC[C@@H]1CNCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride?
The InChIKey is KIGXYHWSOJVZNA-JGAZGGJJSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15;/h1-4,10,12,14-15H,5-8H2;1H/t10-,12-;/m0./s1.
What are the key properties of [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride?
[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 71776877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).