(S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol

C15H19ClFNO — CID 68673731

IUPAC(S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol
SMILESC=CCN1CCCC[C@H]1[C@@H](O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H19ClFNO/c1-2-6-18-7-4-3-5-14(18)15(19)11-8-12(16)10-13(17)9-11/h2,8-10,14-15,19H,1,3-7H2/t14-,15-/m0/s1
InChIKeyGLHWNNXGNYQNRN-GJZGRUSLSA-N
MW283.77 g/mol
LogP3.55
Rot. Bonds4

About (S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol

(S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol (PubChem CID 68673731) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is (S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol
PubChem CID68673731
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name(S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol
SMILESC=CCN1CCCC[C@H]1[C@@H](O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H19ClFNO/c1-2-6-18-7-4-3-5-14(18)15(19)11-8-12(16)10-13(17)9-11/h2,8-10,14-15,19H,1,3-7H2/t14-,15-/m0/s1
InChIKeyGLHWNNXGNYQNRN-GJZGRUSLSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol?
The IUPAC name of (S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol (CID 68673731) is (S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol.
What is the SMILES notation for (S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol?
The canonical SMILES for (S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol is C=CCN1CCCC[C@H]1[C@@H](O)c1cc(F)cc(Cl)c1.
What is the InChIKey of (S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol?
The InChIKey is GLHWNNXGNYQNRN-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-2-6-18-7-4-3-5-14(18)15(19)11-8-12(16)10-13(17)9-11/h2,8-10,14-15,19H,1,3-7H2/t14-,15-/m0/s1.
What are the key properties of (S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol?
(S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol has a molecular weight of 283.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol is sourced from PubChem (CID 68673731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).