[(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol

C19H22FNO — CID 10881101

IUPAC[(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccccc2)CC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H22FNO/c20-18-8-6-16(7-9-18)19-10-11-21(13-17(19)14-22)12-15-4-2-1-3-5-15/h1-9,17,19,22H,10-14H2/t17-,19-/m0/s1
InChIKeyAELJBFRPEBTCSA-HKUYNNGSSA-N
MW299.39 g/mol
LogP3.42
Rot. Bonds4

About [(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol

[(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol (PubChem CID 10881101) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is [(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol
PubChem CID10881101
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name[(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccccc2)CC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H22FNO/c20-18-8-6-16(7-9-18)19-10-11-21(13-17(19)14-22)12-15-4-2-1-3-5-15/h1-9,17,19,22H,10-14H2/t17-,19-/m0/s1
InChIKeyAELJBFRPEBTCSA-HKUYNNGSSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol (CID 10881101) is [(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol is OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1c1ccc(F)cc1.
What is the InChIKey of [(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol?
The InChIKey is AELJBFRPEBTCSA-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H22FNO/c20-18-8-6-16(7-9-18)19-10-11-21(13-17(19)14-22)12-15-4-2-1-3-5-15/h1-9,17,19,22H,10-14H2/t17-,19-/m0/s1.
What are the key properties of [(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol?
[(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol has a molecular weight of 299.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 10881101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).