[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C13H21F3N2O2 — CID 63710206

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCCCC1CCO)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(5-6-17-9-12)11(20)18-7-2-1-3-10(18)4-8-19/h10,17,19H,1-9H2
InChIKeyPVVVCLRAYMQHJW-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.29
Rot. Bonds3

About [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63710206) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63710206
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCCCC1CCO)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(5-6-17-9-12)11(20)18-7-2-1-3-10(18)4-8-19/h10,17,19H,1-9H2
InChIKeyPVVVCLRAYMQHJW-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63720627
1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide
CID 63708258
(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709889
[2-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 112748638
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carboxamide
CID 63709885
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 107068770
[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708237
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780404
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 55049095
1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 80598710
(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 63141995
2-(1-aminocyclopentyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 64684748

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63710206) is [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(N1CCCCC1CCO)C1(C(F)(F)F)CCNC1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is PVVVCLRAYMQHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)12(5-6-17-9-12)11(20)18-7-2-1-3-10(18)4-8-19/h10,17,19H,1-9H2.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 294.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63710206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).