1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol

C15H27F3N2O — CID 83992539

IUPAC1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(F)(F)F)CN(CC2CC2)C1
InChIInChI=1S/C15H27F3N2O/c1-2-14(21)6-12-5-13(19-10-15(16,17)18)9-20(8-12)7-11-3-4-11/h11-14,19,21H,2-10H2,1H3
InChIKeyDUIJAAWOQZVFRN-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.40
Rot. Bonds7

About 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol

1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83992539) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
PubChem CID83992539
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(F)(F)F)CN(CC2CC2)C1
InChIInChI=1S/C15H27F3N2O/c1-2-14(21)6-12-5-13(19-10-15(16,17)18)9-20(8-12)7-11-3-4-11/h11-14,19,21H,2-10H2,1H3
InChIKeyDUIJAAWOQZVFRN-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-5-propyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992525
1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992583
1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996881
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235
1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol
CID 83995270
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83996988
1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992094
1,5-bis(cyclopropylmethyl)-N-(2,2-dimethylpropyl)piperidin-3-amine
CID 83995297
1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
CID 83998265
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
CID 83998394
3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
1-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996653

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (CID 83992539) is 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is CCC(O)CC1CC(NCC(F)(F)F)CN(CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is DUIJAAWOQZVFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-2-14(21)6-12-5-13(19-10-15(16,17)18)9-20(8-12)7-11-3-4-11/h11-14,19,21H,2-10H2,1H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol has a molecular weight of 308.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83992539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).