1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine

C24H31FN2O2 — CID 46977040

IUPAC1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine
SMILESCOc1cccc(CN2CCC(N3CCCC3)CC2)c1OCc1cccc(F)c1
InChIInChI=1S/C24H31FN2O2/c1-28-23-9-5-7-20(24(23)29-18-19-6-4-8-21(25)16-19)17-26-14-10-22(11-15-26)27-12-2-3-13-27/h4-9,16,22H,2-3,10-15,17-18H2,1H3
InChIKeyGIMXQHDUWRABCZ-UHFFFAOYSA-N
MW398.52 g/mol
LogP4.47
Rot. Bonds7

About 1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine

1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine (PubChem CID 46977040) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is 1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine
PubChem CID46977040
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC Name1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine
SMILESCOc1cccc(CN2CCC(N3CCCC3)CC2)c1OCc1cccc(F)c1
InChIInChI=1S/C24H31FN2O2/c1-28-23-9-5-7-20(24(23)29-18-19-6-4-8-21(25)16-19)17-26-14-10-22(11-15-26)27-12-2-3-13-27/h4-9,16,22H,2-3,10-15,17-18H2,1H3
InChIKeyGIMXQHDUWRABCZ-UHFFFAOYSA-N
XLogP4.47
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705
N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine;oxalic acid
CID 91969612
1-benzyl-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159436
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
CID 1375678
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017
4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline
CID 61216485
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359
1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane;hydrochloride
CID 163326473
1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid
CID 2910657
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine (CID 46977040) is 1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine is COc1cccc(CN2CCC(N3CCCC3)CC2)c1OCc1cccc(F)c1.
What is the InChIKey of 1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine?
The InChIKey is GIMXQHDUWRABCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-28-23-9-5-7-20(24(23)29-18-19-6-4-8-21(25)16-19)17-26-14-10-22(11-15-26)27-12-2-3-13-27/h4-9,16,22H,2-3,10-15,17-18H2,1H3.
What are the key properties of 1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine?
1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine has a molecular weight of 398.52 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 46977040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).