pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride

C12H20ClF3N2O2 — CID 91660155

IUPACpyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O2.ClH/c13-12(14,15)10(18)8-3-6-17(7-4-8)11(19)9-2-1-5-16-9;/h8-10,16,18H,1-7H2;1H
InChIKeyAPCNUJRETQQZEP-UHFFFAOYSA-N
MW316.75 g/mol
LogP1.32
Rot. Bonds2

About pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride

pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 91660155) has the molecular formula C12H20ClF3N2O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID91660155
Molecular FormulaC12H20ClF3N2O2
Molecular Weight316.75 g/mol
Exact Mass316.12
IUPAC Namepyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O2.ClH/c13-12(14,15)10(18)8-3-6-17(7-4-8)11(19)9-2-1-5-16-9;/h8-10,16,18H,1-7H2;1H
InChIKeyAPCNUJRETQQZEP-UHFFFAOYSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016
[(2R)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707243
[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707264
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119311371
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787837
piperidin-2-yl-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119326089
[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129320770
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride (CID 91660155) is pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride is Cl.O=C(C1CCCN1)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is APCNUJRETQQZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2.ClH/c13-12(14,15)10(18)8-3-6-17(7-4-8)11(19)9-2-1-5-16-9;/h8-10,16,18H,1-7H2;1H.
What are the key properties of pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride?
pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 316.75 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 91660155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).