4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol

C13H25F3N2O — CID 103786438

IUPAC4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
SMILESCC(C)C(CCO)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-10(2)12(5-8-19)17-11-3-6-18(7-4-11)9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3
InChIKeySCRCLXHEEQXIKM-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds6

About 4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol

4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol (PubChem CID 103786438) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
PubChem CID103786438
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
SMILESCC(C)C(CCO)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-10(2)12(5-8-19)17-11-3-6-18(7-4-11)9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3
InChIKeySCRCLXHEEQXIKM-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol with MolForge

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Related Compounds

(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 103786544
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
CID 43788499
N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43766678
(3R)-3-[(1-ethylpiperidin-4-yl)amino]butan-1-ol
CID 103914392
N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81403823
4-methyl-3-(oxepan-4-ylamino)pentan-1-ol
CID 103894941
3-(azepan-4-ylamino)-4-methylpentan-1-ol
CID 106348666
N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 62693274
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
CID 43791625
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol (CID 103786438) is 4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol is CC(C)C(CCO)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol?
The InChIKey is SCRCLXHEEQXIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-10(2)12(5-8-19)17-11-3-6-18(7-4-11)9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3.
What are the key properties of 4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol?
4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol has a molecular weight of 282.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 103786438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).