1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol

C10H20FNO — CID 131021951

IUPAC1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol
SMILESCC1CCN(CC(O)CF)CC1C
InChIInChI=1S/C10H20FNO/c1-8-3-4-12(6-9(8)2)7-10(13)5-11/h8-10,13H,3-7H2,1-2H3
InChIKeyRJJCZKVCNJIDKH-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.29
Rot. Bonds3

About 1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol

1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol (PubChem CID 131021951) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol
PubChem CID131021951
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol
SMILESCC1CCN(CC(O)CF)CC1C
InChIInChI=1S/C10H20FNO/c1-8-3-4-12(6-9(8)2)7-10(13)5-11/h8-10,13H,3-7H2,1-2H3
InChIKeyRJJCZKVCNJIDKH-UHFFFAOYSA-N
XLogP1.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol?
The IUPAC name of 1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol (CID 131021951) is 1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol is CC1CCN(CC(O)CF)CC1C.
What is the InChIKey of 1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol?
The InChIKey is RJJCZKVCNJIDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8-3-4-12(6-9(8)2)7-10(13)5-11/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol?
1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol has a molecular weight of 189.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperidin-1-yl)-3-fluoropropan-2-ol is sourced from PubChem (CID 131021951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).