(2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol

C14H27F3N2O2 — CID 95327699

IUPAC(2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCC(CN(C)CCOCC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2O2/c1-12(20)9-19-5-3-13(4-6-19)10-18(2)7-8-21-11-14(15,16)17/h12-13,20H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyMHZOWABOHLJETB-LBPRGKRZSA-N
MW312.38 g/mol
LogP1.59
Rot. Bonds8

About (2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol

(2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95327699) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is (2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95327699
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Name(2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCC(CN(C)CCOCC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2O2/c1-12(20)9-19-5-3-13(4-6-19)10-18(2)7-8-21-11-14(15,16)17/h12-13,20H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyMHZOWABOHLJETB-LBPRGKRZSA-N
XLogP1.59
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
CID 95314387
4-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]butanenitrile
CID 95339513
(2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95314347
1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 71925951
(2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 97087148
(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95318062
N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 79716520
1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 86893871
(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 100840896
(2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95339517
(2R)-1-[4-[[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 100840898
N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide
CID 95346098

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol (CID 95327699) is (2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol is C[C@H](O)CN1CCC(CN(C)CCOCC(F)(F)F)CC1.
What is the InChIKey of (2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is MHZOWABOHLJETB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c1-12(20)9-19-5-3-13(4-6-19)10-18(2)7-8-21-11-14(15,16)17/h12-13,20H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol?
(2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 312.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95327699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).