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

C15H28F2N2O — CID 83993286

IUPAC1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)F)CN(CC2CCCC2)C1
InChIInChI=1S/C15H28F2N2O/c1-11(20)13-6-14(18-7-15(16)17)10-19(9-13)8-12-4-2-3-5-12/h11-15,18,20H,2-10H2,1H3
InChIKeyBNKMOLGJWSWRCK-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.10
Rot. Bonds6

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

1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83993286) has the molecular formula C15H28F2N2O and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83993286
Molecular FormulaC15H28F2N2O
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)F)CN(CC2CCCC2)C1
InChIInChI=1S/C15H28F2N2O/c1-11(20)13-6-14(18-7-15(16)17)10-19(9-13)8-12-4-2-3-5-12/h11-15,18,20H,2-10H2,1H3
InChIKeyBNKMOLGJWSWRCK-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol with MolForge

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Related Compounds

[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-3-yl]methanol
CID 43752760
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol
CID 61647651
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-3-yl]methanol
CID 61647652
3-(Methylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65533676
3-(Ethylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65534461
3-(Methylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65534647
3-(Propylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65535228
3-(Ethylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65535822
3-(Propylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65536223
2-[[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 65834609
2-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992066
3-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol (CID 83993286) is 1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol is CC(O)C1CC(NCC(F)F)CN(CC2CCCC2)C1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is BNKMOLGJWSWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O/c1-11(20)13-6-14(18-7-15(16)17)10-19(9-13)8-12-4-2-3-5-12/h11-15,18,20H,2-10H2,1H3.
What are the key properties of 1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol?
1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 290.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83993286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).