(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol

C25H29FN4O — CID 29000908

IUPAC(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccnc3ccccc23)CC[C@H]1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H29FN4O/c26-21-6-2-4-8-23(21)29-13-15-30(16-14-29)24-10-12-28(18-25(24)31)17-19-9-11-27-22-7-3-1-5-20(19)22/h1-9,11,24-25,31H,10,12-18H2/t24-,25-/m1/s1
InChIKeyYTAFHWNYZIAPCP-JWQCQUIFSA-N
MW420.53 g/mol
LogP3.13
Rot. Bonds4

About (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol

(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol (PubChem CID 29000908) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol
PubChem CID29000908
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC Name(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccnc3ccccc23)CC[C@H]1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H29FN4O/c26-21-6-2-4-8-23(21)29-13-15-30(16-14-29)24-10-12-28(18-25(24)31)17-19-9-11-27-22-7-3-1-5-20(19)22/h1-9,11,24-25,31H,10,12-18H2/t24-,25-/m1/s1
InChIKeyYTAFHWNYZIAPCP-JWQCQUIFSA-N
XLogP3.13
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol with MolForge

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Related Compounds

(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol
CID 28768711
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 45252313
(3S,4S)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 133122430
(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol
CID 56877712
(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 29256798
3-[(3S,4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 118756858
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
CID 106838033
[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 25276447
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol
CID 56872579

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol (CID 29000908) is (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol is O[C@@H]1CN(Cc2ccnc3ccccc23)CC[C@H]1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol?
The InChIKey is YTAFHWNYZIAPCP-JWQCQUIFSA-N. The full InChI is InChI=1S/C25H29FN4O/c26-21-6-2-4-8-23(21)29-13-15-30(16-14-29)24-10-12-28(18-25(24)31)17-19-9-11-27-22-7-3-1-5-20(19)22/h1-9,11,24-25,31H,10,12-18H2/t24-,25-/m1/s1.
What are the key properties of (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol?
(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol has a molecular weight of 420.53 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 29000908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).