2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol

C24H38FN3O — CID 28957404

IUPAC2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CCN1CC1CCCCC1
InChIInChI=1S/C24H38FN3O/c25-21-6-8-22(9-7-21)26-13-10-23(11-14-26)28-16-15-27(24(19-28)12-17-29)18-20-4-2-1-3-5-20/h6-9,20,23-24,29H,1-5,10-19H2/t24-/m0/s1
InChIKeyLTMZNPJOHOZUQA-DEOSSOPVSA-N
MW403.59 g/mol
LogP3.74
Rot. Bonds6

About 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol

2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol (PubChem CID 28957404) has the molecular formula C24H38FN3O and a molecular weight of 403.59 g/mol. Its IUPAC name is 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol
PubChem CID28957404
Molecular FormulaC24H38FN3O
Molecular Weight403.59 g/mol
Exact Mass403.30
IUPAC Name2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CCN1CC1CCCCC1
InChIInChI=1S/C24H38FN3O/c25-21-6-8-22(9-7-21)26-13-10-23(11-14-26)28-16-15-27(24(19-28)12-17-29)18-20-4-2-1-3-5-20/h6-9,20,23-24,29H,1-5,10-19H2/t24-/m0/s1
InChIKeyLTMZNPJOHOZUQA-DEOSSOPVSA-N
XLogP3.74
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

[4-Benzyl-1'-(3,4-difluorophenyl)-1,4'-bipiperidin-4-yl]methanol
CID 16188907
2-[1-(3,4-Difluorobenzyl)-4-(1-phenyl-4-piperidinyl)-2-piperazinyl]ethanol
CID 16192111
2-{1-Methyl-4-[1-(4-methylphenyl)-4-piperidinyl]-2-piperazinyl}ethanol
CID 23723426
1-Benzyl-4-(4-phenylpiperazin-1-yl)piperidin-3-ol
CID 44410884
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]pyrrolidin-3-yl}methanol
CID 70767794
1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(3-hydroxybutyl)-
CID 89523
1-Allyl-4-(4-phenylpiperazin-1-yl)piperidin-3-ol
CID 44410787
1-Benzyl-3-(4-phenylpiperazin-1-yl)piperidin-4-ol
CID 44410886
2-{1-Cyclohexyl-4-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperazin-2-yl}ethanol
CID 16188727
2-[4-[1-(4-Fluoro-2-methylphenyl)-4-piperidinyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16190219
[4-Benzyl-1'-(2-fluorophenyl)-1,4'-bipiperidin-4-yl]methanol
CID 16190275
2-{1-Cyclohexyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl}ethanol
CID 16191073

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol (CID 28957404) is 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol is OCC[C@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CCN1CC1CCCCC1.
What is the InChIKey of 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
The InChIKey is LTMZNPJOHOZUQA-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H38FN3O/c25-21-6-8-22(9-7-21)26-13-10-23(11-14-26)28-16-15-27(24(19-28)12-17-29)18-20-4-2-1-3-5-20/h6-9,20,23-24,29H,1-5,10-19H2/t24-/m0/s1.
What are the key properties of 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol has a molecular weight of 403.59 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol is sourced from PubChem (CID 28957404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).