2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol

C10H21FN2O — CID 167493150

IUPAC2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol
SMILESCC(C)NC1CC(F)CN(CCO)C1
InChIInChI=1S/C10H21FN2O/c1-8(2)12-10-5-9(11)6-13(7-10)3-4-14/h8-10,12,14H,3-7H2,1-2H3
InChIKeyDJRAXSSCHAWNEC-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.39
Rot. Bonds4

About 2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol

2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol (PubChem CID 167493150) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol
PubChem CID167493150
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Name2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol
SMILESCC(C)NC1CC(F)CN(CCO)C1
InChIInChI=1S/C10H21FN2O/c1-8(2)12-10-5-9(11)6-13(7-10)3-4-14/h8-10,12,14H,3-7H2,1-2H3
InChIKeyDJRAXSSCHAWNEC-UHFFFAOYSA-N
XLogP0.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol (CID 167493150) is 2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol is CC(C)NC1CC(F)CN(CCO)C1.
What is the InChIKey of 2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol?
The InChIKey is DJRAXSSCHAWNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O/c1-8(2)12-10-5-9(11)6-13(7-10)3-4-14/h8-10,12,14H,3-7H2,1-2H3.
What are the key properties of 2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol?
2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol has a molecular weight of 204.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(propan-2-ylamino)piperidin-1-yl]ethanol is sourced from PubChem (CID 167493150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).