1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

C24H30ClFN2O2 — CID 131950566

IUPAC1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESOC1(CN2CCCC2)CCN(Cc2ccccc2OCc2c(F)cccc2Cl)CC1
InChIInChI=1S/C24H30ClFN2O2/c25-21-7-5-8-22(26)20(21)17-30-23-9-2-1-6-19(23)16-27-14-10-24(29,11-15-27)18-28-12-3-4-13-28/h1-2,5-9,29H,3-4,10-18H2
InChIKeyOYRCOCPTPXMKRI-UHFFFAOYSA-N
MW432.97 g/mol
LogP4.48
Rot. Bonds7

About 1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (PubChem CID 131950566) has the molecular formula C24H30ClFN2O2 and a molecular weight of 432.97 g/mol. Its IUPAC name is 1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
PubChem CID131950566
Molecular FormulaC24H30ClFN2O2
Molecular Weight432.97 g/mol
Exact Mass432.20
IUPAC Name1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESOC1(CN2CCCC2)CCN(Cc2ccccc2OCc2c(F)cccc2Cl)CC1
InChIInChI=1S/C24H30ClFN2O2/c25-21-7-5-8-22(26)20(21)17-30-23-9-2-1-6-19(23)16-27-14-10-24(29,11-15-27)18-28-12-3-4-13-28/h1-2,5-9,29H,3-4,10-18H2
InChIKeyOYRCOCPTPXMKRI-UHFFFAOYSA-N
XLogP4.48
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.97
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70727854
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344
(1R,2S,6R,7S)-10-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;dihydrochloride
CID 154909138
1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 22195534
2-(2-chloro-6-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142509
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170865688
1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107408415
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77083186
3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol
CID 154571233
[1-[(4-chloro-2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91767002
[1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45189123
2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]ethanone
CID 155991715

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (CID 131950566) is 1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is OC1(CN2CCCC2)CCN(Cc2ccccc2OCc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The InChIKey is OYRCOCPTPXMKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN2O2/c25-21-7-5-8-22(26)20(21)17-30-23-9-2-1-6-19(23)16-27-14-10-24(29,11-15-27)18-28-12-3-4-13-28/h1-2,5-9,29H,3-4,10-18H2.
What are the key properties of 1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol has a molecular weight of 432.97 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 131950566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).