(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone

C14H16F3NO — CID 55158690

IUPAC(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
SMILESCCC1CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C14H16F3NO/c1-2-9-4-3-5-18(8-9)14(19)10-6-11(15)13(17)12(16)7-10/h6-7,9H,2-5,8H2,1H3
InChIKeyVRXYKOXVDCHCMG-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.37
Rot. Bonds2

About (3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone

(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 55158690) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
PubChem CID55158690
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
SMILESCCC1CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C14H16F3NO/c1-2-9-4-3-5-18(8-9)14(19)10-6-11(15)13(17)12(16)7-10/h6-7,9H,2-5,8H2,1H3
InChIKeyVRXYKOXVDCHCMG-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[3-(chloromethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63393374
[3-(methylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119398801
[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186795
(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188938
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 114801630
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
[3-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119596663
(4-bromo-3-fluorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697956
(3-bromo-4,5-difluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 172646628
[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 63765932

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone (CID 55158690) is (3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone is CCC1CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is VRXYKOXVDCHCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-2-9-4-3-5-18(8-9)14(19)10-6-11(15)13(17)12(16)7-10/h6-7,9H,2-5,8H2,1H3.
What are the key properties of (3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 271.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 55158690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).