1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol

C14H27F3N2O — CID 83992166

IUPAC1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC(F)(F)F)CN(CC(C)C)C1
InChIInChI=1S/C14H27F3N2O/c1-4-13(20)11-5-12(18-9-14(15,16)17)8-19(7-11)6-10(2)3/h10-13,18,20H,4-9H2,1-3H3
InChIKeyBTLYMBDMQZTZPP-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.26
Rot. Bonds6

About 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol

1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83992166) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
PubChem CID83992166
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC(F)(F)F)CN(CC(C)C)C1
InChIInChI=1S/C14H27F3N2O/c1-4-13(20)11-5-12(18-9-14(15,16)17)8-19(7-11)6-10(2)3/h10-13,18,20H,4-9H2,1-3H3
InChIKeyBTLYMBDMQZTZPP-UHFFFAOYSA-N
XLogP2.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Amino-3-piperidyl)-2,2,2-trifluoro-ethanol
CID 156069915
1-(3-Amino-3-piperidyl)-2,2-difluoro-ethanol
CID 156070032
[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
4,4,4-Trifluoro-1-piperidin-3-ylbutan-1-ol
CID 80559448

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (CID 83992166) is 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is CCC(O)C1CC(NCC(F)(F)F)CN(CC(C)C)C1.
What is the InChIKey of 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is BTLYMBDMQZTZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-4-13(20)11-5-12(18-9-14(15,16)17)8-19(7-11)6-10(2)3/h10-13,18,20H,4-9H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol has a molecular weight of 296.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83992166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).