1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine

C17H25FN2O — CID 102877734

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
SMILESCOc1ccc(CN2CCC(C3CCCN3)CC2)c(F)c1
InChIInChI=1S/C17H25FN2O/c1-21-15-5-4-14(16(18)11-15)12-20-9-6-13(7-10-20)17-3-2-8-19-17/h4-5,11,13,17,19H,2-3,6-10,12H2,1H3
InChIKeyFPGPSKRKVGQDIQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.80
Rot. Bonds4

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine

1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine (PubChem CID 102877734) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
PubChem CID102877734
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
SMILESCOc1ccc(CN2CCC(C3CCCN3)CC2)c(F)c1
InChIInChI=1S/C17H25FN2O/c1-21-15-5-4-14(16(18)11-15)12-20-9-6-13(7-10-20)17-3-2-8-19-17/h4-5,11,13,17,19H,2-3,6-10,12H2,1H3
InChIKeyFPGPSKRKVGQDIQ-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine 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-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63259218
4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 77089960
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030
6-methoxy-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120834995
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 102879444
6-[(2-bromo-5-methoxyphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682194
1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine
CID 56914097
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol
CID 104869103
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
CID 102875898
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine (CID 102877734) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine is COc1ccc(CN2CCC(C3CCCN3)CC2)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine?
The InChIKey is FPGPSKRKVGQDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-21-15-5-4-14(16(18)11-15)12-20-9-6-13(7-10-20)17-3-2-8-19-17/h4-5,11,13,17,19H,2-3,6-10,12H2,1H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine?
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine has a molecular weight of 292.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 102877734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).