[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone

C16H23FN2O — CID 81477977

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
SMILESCCNCC1CCN(C(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C16H23FN2O/c1-3-18-11-13-7-9-19(10-8-13)16(20)14-6-4-5-12(2)15(14)17/h4-6,13,18H,3,7-11H2,1-2H3
InChIKeyLFQHZYQASLHKRK-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.60
Rot. Bonds4

About [4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone

[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81477977) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
PubChem CID81477977
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
SMILESCCNCC1CCN(C(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C16H23FN2O/c1-3-18-11-13-7-9-19(10-8-13)16(20)14-6-4-5-12(2)15(14)17/h4-6,13,18H,3,7-11H2,1-2H3
InChIKeyLFQHZYQASLHKRK-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 84587279
(2-chloro-3-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646459
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
CID 80719245
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81478415
(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647989
(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646387
ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
CID 80710422
(2-fluoro-3-methylphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775406
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 80551458
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone (CID 81477977) is [4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone is CCNCC1CCN(C(=O)c2cccc(C)c2F)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is LFQHZYQASLHKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-18-11-13-7-9-19(10-8-13)16(20)14-6-4-5-12(2)15(14)17/h4-6,13,18H,3,7-11H2,1-2H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 278.37 g/mol, XLogP of 2.60, 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]-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81477977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).