3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol

C12H23FN2O — CID 178010502

IUPAC3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol
SMILESCNC1CCN(C2CCCC(O)C2)CC1F
InChIInChI=1S/C12H23FN2O/c1-14-12-5-6-15(8-11(12)13)9-3-2-4-10(16)7-9/h9-12,14,16H,2-8H2,1H3
InChIKeyJSEHKRVEDNBAIB-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.92
Rot. Bonds2

About 3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol

3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 178010502) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol
PubChem CID178010502
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol
SMILESCNC1CCN(C2CCCC(O)C2)CC1F
InChIInChI=1S/C12H23FN2O/c1-14-12-5-6-15(8-11(12)13)9-3-2-4-10(16)7-9/h9-12,14,16H,2-8H2,1H3
InChIKeyJSEHKRVEDNBAIB-UHFFFAOYSA-N
XLogP0.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol (CID 178010502) is 3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol is CNC1CCN(C2CCCC(O)C2)CC1F.
What is the InChIKey of 3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is JSEHKRVEDNBAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O/c1-14-12-5-6-15(8-11(12)13)9-3-2-4-10(16)7-9/h9-12,14,16H,2-8H2,1H3.
What are the key properties of 3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol?
3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 230.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(methylamino)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 178010502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).