2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride

C17H28ClFN2O — CID 120843504

IUPAC2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCCOc1ccc(CN2CCC(CCNC)CC2)cc1F.Cl
InChIInChI=1S/C17H27FN2O.ClH/c1-3-21-17-5-4-15(12-16(17)18)13-20-10-7-14(8-11-20)6-9-19-2;/h4-5,12,14,19H,3,6-11,13H2,1-2H3;1H
InChIKeyDJSDDRGNRNMQPJ-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.47
Rot. Bonds7

About 2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride

2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride (PubChem CID 120843504) has the molecular formula C17H28ClFN2O and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
PubChem CID120843504
Molecular FormulaC17H28ClFN2O
Molecular Weight330.88 g/mol
Exact Mass330.19
IUPAC Name2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCCOc1ccc(CN2CCC(CCNC)CC2)cc1F.Cl
InChIInChI=1S/C17H27FN2O.ClH/c1-3-21-17-5-4-15(12-16(17)18)13-20-10-7-14(8-11-20)6-9-19-2;/h4-5,12,14,19H,3,6-11,13H2,1-2H3;1H
InChIKeyDJSDDRGNRNMQPJ-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride 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-[(4-ethoxy-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120834084
[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120837699
(3S)-1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 120836290
1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63649779
1-[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 120843364
1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 81437105
2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 114283042
2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104869888
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
CID 107694032
2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843537
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The IUPAC name of 2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride (CID 120843504) is 2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride is CCOc1ccc(CN2CCC(CCNC)CC2)cc1F.Cl.
What is the InChIKey of 2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The InChIKey is DJSDDRGNRNMQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O.ClH/c1-3-21-17-5-4-15(12-16(17)18)13-20-10-7-14(8-11-20)6-9-19-2;/h4-5,12,14,19H,3,6-11,13H2,1-2H3;1H.
What are the key properties of 2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 120843504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).