1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

C14H25F3N2O — CID 83992450

IUPAC1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)(F)F)CN(C2CCCC2)C1
InChIInChI=1S/C14H25F3N2O/c1-10(20)11-6-12(18-9-14(15,16)17)8-19(7-11)13-4-2-3-5-13/h10-13,18,20H,2-9H2,1H3
InChIKeyMFDJWVLQLRAIGC-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.15
Rot. Bonds4

About 1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992450) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992450
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)(F)F)CN(C2CCCC2)C1
InChIInChI=1S/C14H25F3N2O/c1-10(20)11-6-12(18-9-14(15,16)17)8-19(7-11)13-4-2-3-5-13/h10-13,18,20H,2-9H2,1H3
InChIKeyMFDJWVLQLRAIGC-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992450) is 1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CC(O)C1CC(NCC(F)(F)F)CN(C2CCCC2)C1.
What is the InChIKey of 1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is MFDJWVLQLRAIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-10(20)11-6-12(18-9-14(15,16)17)8-19(7-11)13-4-2-3-5-13/h10-13,18,20H,2-9H2,1H3.
What are the key properties of 1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 294.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).