[4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone

C15H21FN2O2 — CID 65435015

IUPAC[4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)N1CCC(CCN)CC1
InChIInChI=1S/C15H21FN2O2/c1-20-13-4-2-3-12(16)14(13)15(19)18-9-6-11(5-8-17)7-10-18/h2-4,11H,5-10,17H2,1H3
InChIKeyMWRVMXVLPPCXRT-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.04
Rot. Bonds4

About [4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone

[4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone (PubChem CID 65435015) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
PubChem CID65435015
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name[4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)N1CCC(CCN)CC1
InChIInChI=1S/C15H21FN2O2/c1-20-13-4-2-3-12(16)14(13)15(19)18-9-6-11(5-8-17)7-10-18/h2-4,11H,5-10,17H2,1H3
InChIKeyMWRVMXVLPPCXRT-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70748094
(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80662755
[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119934296
(3-aminopyrrolidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119482707
1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65433856
(2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone
CID 70720752
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
[3-(7-aminoheptyl)pyrrolidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 168813920
2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid
CID 65434176
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 81483168
[4-(2-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 79732941

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone (CID 65435015) is [4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone is COc1cccc(F)c1C(=O)N1CCC(CCN)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone?
The InChIKey is MWRVMXVLPPCXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-13-4-2-3-12(16)14(13)15(19)18-9-6-11(5-8-17)7-10-18/h2-4,11H,5-10,17H2,1H3.
What are the key properties of [4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone?
[4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone has a molecular weight of 280.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone is sourced from PubChem (CID 65435015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).