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

C15H19ClFNO — CID 68673732

IUPAC(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol
SMILESC=CCN1CCCC[C@H]1C(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-MLCCFXAWSA-N
MW283.77 g/mol
LogP3.55
Rot. Bonds4

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

(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol (PubChem CID 68673732) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol
PubChem CID68673732
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol
SMILESC=CCN1CCCC[C@H]1C(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-MLCCFXAWSA-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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Related Compounds

Eliprodil
CID 60703
rel-(alphaR)-3-Chloro-alpha-((1R)-1-((1,1-dimethylethyl)amino)ethyl)benzenemethanol
CID 9834682
2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 445
(1R,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 9943534
(+)-(S)-Eliprodil
CID 14622158
1-(3-Chlorophenyl)-2-(isopropylamino)ethanol
CID 19913640
Erythrohydrobupropion
CID 9813542
(R*,S*)-2-(T-Butylamino)1-(3-chlorophenyl) propanol
CID 9899562
Eliprodil, (R)-
CID 9798372
1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10020476
N-[3-(4-Methylphenyl)-1-methylpropyl]-2-hydroxy-2-(3-chlorophenyl)ethanamine
CID 23322179
4-(4-Chloro-phenyl)-1-(2-hydroxy-cyclohexyl)-piperidin-4-ol
CID 15925786

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol?
The IUPAC name of (3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol (CID 68673732) is (3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol?
The canonical SMILES for (3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol is C=CCN1CCCC[C@H]1C(O)c1cc(F)cc(Cl)c1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol?
The InChIKey is GLHWNNXGNYQNRN-MLCCFXAWSA-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 (3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol?
(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 (3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol is sourced from PubChem (CID 68673732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).