[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride

C16H21ClF4N2O — CID 119647539

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C16H20F4N2O.ClH/c1-2-21-10-11-5-7-22(8-6-11)15(23)12-3-4-14(17)13(9-12)16(18,19)20;/h3-4,9,11,21H,2,5-8,10H2,1H3;1H
InChIKeyNKSCEBUZMXMPON-UHFFFAOYSA-N
MW368.80 g/mol
LogP3.73
Rot. Bonds4

About [4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride

[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride (PubChem CID 119647539) has the molecular formula C16H21ClF4N2O and a molecular weight of 368.80 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
PubChem CID119647539
Molecular FormulaC16H21ClF4N2O
Molecular Weight368.80 g/mol
Exact Mass368.13
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C16H20F4N2O.ClH/c1-2-21-10-11-5-7-22(8-6-11)15(23)12-3-4-14(17)13(9-12)16(18,19)20;/h3-4,9,11,21H,2,5-8,10H2,1H3;1H
InChIKeyNKSCEBUZMXMPON-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride with MolForge

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Related Compounds

[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546114
(3-bromo-4-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647709
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
[4-(ethylaminomethyl)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 84587279
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81467076
[4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647363
2,3-dihydro-1H-inden-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648165
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
[4-(ethylaminomethyl)piperidin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone;hydrochloride
CID 119647028
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride (CID 119647539) is [4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride is CCNCC1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1.Cl.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride?
The InChIKey is NKSCEBUZMXMPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2O.ClH/c1-2-21-10-11-5-7-22(8-6-11)15(23)12-3-4-14(17)13(9-12)16(18,19)20;/h3-4,9,11,21H,2,5-8,10H2,1H3;1H.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride?
[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride has a molecular weight of 368.80 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119647539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).