(S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol

C15H22FNO — CID 138473408

IUPAC(S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol
SMILESCCC[C@H]1CCC[C@@H]([C@@H](O)c2cccc(F)c2)N1
InChIInChI=1S/C15H22FNO/c1-2-5-13-8-4-9-14(17-13)15(18)11-6-3-7-12(16)10-11/h3,6-7,10,13-15,17-18H,2,4-5,8-9H2,1H3/t13-,14-,15-/m0/s1
InChIKeyLHNXVKLZYOEIDG-KKUMJFAQSA-N
MW251.34 g/mol
LogP3.17
Rot. Bonds4

About (S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol

(S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol (PubChem CID 138473408) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol
PubChem CID138473408
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol
SMILESCCC[C@H]1CCC[C@@H]([C@@H](O)c2cccc(F)c2)N1
InChIInChI=1S/C15H22FNO/c1-2-5-13-8-4-9-14(17-13)15(18)11-6-3-7-12(16)10-11/h3,6-7,10,13-15,17-18H,2,4-5,8-9H2,1H3/t13-,14-,15-/m0/s1
InChIKeyLHNXVKLZYOEIDG-KKUMJFAQSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol?
The IUPAC name of (S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol (CID 138473408) is (S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol.
What is the SMILES notation for (S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol?
The canonical SMILES for (S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol is CCC[C@H]1CCC[C@@H]([C@@H](O)c2cccc(F)c2)N1.
What is the InChIKey of (S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol?
The InChIKey is LHNXVKLZYOEIDG-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-5-13-8-4-9-14(17-13)15(18)11-6-3-7-12(16)10-11/h3,6-7,10,13-15,17-18H,2,4-5,8-9H2,1H3/t13-,14-,15-/m0/s1.
What are the key properties of (S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol?
(S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol has a molecular weight of 251.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-fluorophenyl)-[(2S,6S)-6-propylpiperidin-2-yl]methanol is sourced from PubChem (CID 138473408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).