1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine

C20H25FN2O — CID 4551536

IUPAC1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
SMILESCCOc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H25FN2O/c1-2-24-20-9-3-16(4-10-20)15-23-13-11-19(12-14-23)22-18-7-5-17(21)6-8-18/h3-10,19,22H,2,11-15H2,1H3
InChIKeyGFYAFQZCVSPMEG-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.30
Rot. Bonds6

About 1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine

1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine (PubChem CID 4551536) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
PubChem CID4551536
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
SMILESCCOc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H25FN2O/c1-2-24-20-9-3-16(4-10-20)15-23-13-11-19(12-14-23)22-18-7-5-17(21)6-8-18/h3-10,19,22H,2,11-15H2,1H3
InChIKeyGFYAFQZCVSPMEG-UHFFFAOYSA-N
XLogP4.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 5184956
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide
CID 6737810
N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine
CID 3587375
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
4-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]benzonitrile
CID 24854967
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid
CID 67327582
N-(4-ethoxyphenyl)thian-4-amine
CID 43394937

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine (CID 4551536) is 1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine is CCOc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine?
The InChIKey is GFYAFQZCVSPMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-2-24-20-9-3-16(4-10-20)15-23-13-11-19(12-14-23)22-18-7-5-17(21)6-8-18/h3-10,19,22H,2,11-15H2,1H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine?
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine has a molecular weight of 328.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 4551536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).