2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol

C13H24F2N2O — CID 83993226

IUPAC2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
SMILESOCCC1CC(NCC(F)F)CN(CC2CC2)C1
InChIInChI=1S/C13H24F2N2O/c14-13(15)6-16-12-5-11(3-4-18)8-17(9-12)7-10-1-2-10/h10-13,16,18H,1-9H2
InChIKeyIQMJXQONVBGTDN-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.32
Rot. Bonds7

About 2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol

2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83993226) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83993226
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
SMILESOCCC1CC(NCC(F)F)CN(CC2CC2)C1
InChIInChI=1S/C13H24F2N2O/c14-13(15)6-16-12-5-11(3-4-18)8-17(9-12)7-10-1-2-10/h10-13,16,18H,1-9H2
InChIKeyIQMJXQONVBGTDN-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopropylmethyl)-5-(propylamino)piperidin-3-yl]ethanol
CID 83991207
1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993289
2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol
CID 83999450
1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993221
3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992872
3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
CID 83995997
3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid
CID 83994612
2-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]acetonitrile
CID 83993343
N-[1-(cyclopentylmethyl)-5-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542022
5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine
CID 83992822
3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol
CID 83991255
2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide
CID 83993367

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol (CID 83993226) is 2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol is OCCC1CC(NCC(F)F)CN(CC2CC2)C1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is IQMJXQONVBGTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c14-13(15)6-16-12-5-11(3-4-18)8-17(9-12)7-10-1-2-10/h10-13,16,18H,1-9H2.
What are the key properties of 2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol?
2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 262.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83993226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).