1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol

C13H25F3N2O — CID 115475413

IUPAC1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol
SMILESCC(C)CNCC(O)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-10(2)7-17-8-12(19)9-18-5-3-11(4-6-18)13(14,15)16/h10-12,17,19H,3-9H2,1-2H3
InChIKeyWBONBACBYWKFTN-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.87
Rot. Bonds6

About 1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol

1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol (PubChem CID 115475413) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol
PubChem CID115475413
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol
SMILESCC(C)CNCC(O)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-10(2)7-17-8-12(19)9-18-5-3-11(4-6-18)13(14,15)16/h10-12,17,19H,3-9H2,1-2H3
InChIKeyWBONBACBYWKFTN-UHFFFAOYSA-N
XLogP1.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 115474913
1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 103532073
1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
CID 113317616
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672
1-(4-methylpentyl)-4-(trifluoromethyl)piperidine
CID 142528699
1,1,1,3,3,3-hexafluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol
CID 147996546
3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol
CID 114249996
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775844
(2S)-1-(2-methylpropylamino)butan-2-ol
CID 130500218

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol (CID 115475413) is 1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol is CC(C)CNCC(O)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is WBONBACBYWKFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-10(2)7-17-8-12(19)9-18-5-3-11(4-6-18)13(14,15)16/h10-12,17,19H,3-9H2,1-2H3.
What are the key properties of 1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 282.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 115475413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).