1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol

C13H27FN2O2 — CID 172535606

IUPAC1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(NC(C)(C)C)C(F)C1
InChIInChI=1S/C13H27FN2O2/c1-13(2,3)15-12-5-6-16(8-11(12)14)7-10(17)9-18-4/h10-12,15,17H,5-9H2,1-4H3
InChIKeyIQDIJIHGWJXYDA-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.79
Rot. Bonds5

About 1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol

1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 172535606) has the molecular formula C13H27FN2O2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol
PubChem CID172535606
Molecular FormulaC13H27FN2O2
Molecular Weight262.37 g/mol
Exact Mass262.21
IUPAC Name1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(NC(C)(C)C)C(F)C1
InChIInChI=1S/C13H27FN2O2/c1-13(2,3)15-12-5-6-16(8-11(12)14)7-10(17)9-18-4/h10-12,15,17H,5-9H2,1-4H3
InChIKeyIQDIJIHGWJXYDA-UHFFFAOYSA-N
XLogP0.79
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol (CID 172535606) is 1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol is COCC(O)CN1CCC(NC(C)(C)C)C(F)C1.
What is the InChIKey of 1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is IQDIJIHGWJXYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O2/c1-13(2,3)15-12-5-6-16(8-11(12)14)7-10(17)9-18-4/h10-12,15,17H,5-9H2,1-4H3.
What are the key properties of 1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol?
1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 262.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylamino)-3-fluoropiperidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 172535606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).