(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol

C14H20FNO — CID 155127031

IUPAC(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol
SMILESCC1(C)CCCC([C@@H](O)c2cccc(F)c2)N1
InChIInChI=1S/C14H20FNO/c1-14(2)8-4-7-12(16-14)13(17)10-5-3-6-11(15)9-10/h3,5-6,9,12-13,16-17H,4,7-8H2,1-2H3/t12?,13-/m0/s1
InChIKeyZAHSUSLCXDPQNE-ABLWVSNPSA-N
MW237.32 g/mol
LogP2.78
Rot. Bonds2

About (S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol

(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol (PubChem CID 155127031) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol
PubChem CID155127031
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol
SMILESCC1(C)CCCC([C@@H](O)c2cccc(F)c2)N1
InChIInChI=1S/C14H20FNO/c1-14(2)8-4-7-12(16-14)13(17)10-5-3-6-11(15)9-10/h3,5-6,9,12-13,16-17H,4,7-8H2,1-2H3/t12?,13-/m0/s1
InChIKeyZAHSUSLCXDPQNE-ABLWVSNPSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol?
The IUPAC name of (S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol (CID 155127031) is (S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol?
The canonical SMILES for (S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol is CC1(C)CCCC([C@@H](O)c2cccc(F)c2)N1.
What is the InChIKey of (S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol?
The InChIKey is ZAHSUSLCXDPQNE-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2)8-4-7-12(16-14)13(17)10-5-3-6-11(15)9-10/h3,5-6,9,12-13,16-17H,4,7-8H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of (S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol?
(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol has a molecular weight of 237.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 155127031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).