1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine

C17H25F3N2O2 — CID 157039254

IUPAC1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine
SMILESCN1CCC(O)CC1.FC(F)(F)Oc1ccccc1N1CCCC1
InChIInChI=1S/C11H12F3NO.C6H13NO/c12-11(13,14)16-10-6-2-1-5-9(10)15-7-3-4-8-15;1-7-4-2-6(8)3-5-7/h1-2,5-6H,3-4,7-8H2;6,8H,2-5H2,1H3
InChIKeyIKDCEMUPGYHFBV-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.26
Rot. Bonds2

About 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine

1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine (PubChem CID 157039254) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine
PubChem CID157039254
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine
SMILESCN1CCC(O)CC1.FC(F)(F)Oc1ccccc1N1CCCC1
InChIInChI=1S/C11H12F3NO.C6H13NO/c12-11(13,14)16-10-6-2-1-5-9(10)15-7-3-4-8-15;1-7-4-2-6(8)3-5-7/h1-2,5-6H,3-4,7-8H2;6,8H,2-5H2,1H3
InChIKeyIKDCEMUPGYHFBV-UHFFFAOYSA-N
XLogP3.26
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
CID 167238583
ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine
CID 176552586
(5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethoxy)phenyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653502
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 111463148
3-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64943487
2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine
CID 154695458
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 22458201
3-propyl-1-[2-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64943289
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[[(3R)-1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039844
[4-(4-methylpiperazin-1-yl)-3-(trifluoromethoxy)phenyl]boronic acid
CID 150926385
1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine
CID 167248870
N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512722

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine?
The IUPAC name of 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine (CID 157039254) is 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine.
What is the SMILES notation for 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine?
The canonical SMILES for 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine is CN1CCC(O)CC1.FC(F)(F)Oc1ccccc1N1CCCC1.
What is the InChIKey of 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine?
The InChIKey is IKDCEMUPGYHFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO.C6H13NO/c12-11(13,14)16-10-6-2-1-5-9(10)15-7-3-4-8-15;1-7-4-2-6(8)3-5-7/h1-2,5-6H,3-4,7-8H2;6,8H,2-5H2,1H3.
What are the key properties of 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine?
1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine has a molecular weight of 346.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine is sourced from PubChem (CID 157039254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).