2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

C23H38FN3O — CID 29256265

IUPAC2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCc1cc(F)ccc1N1CCC(N2CCN(CCC(C)C)[C@@H](CCO)C2)CC1
InChIInChI=1S/C23H38FN3O/c1-18(2)6-10-25-13-14-27(17-22(25)9-15-28)21-7-11-26(12-8-21)23-5-4-20(24)16-19(23)3/h4-5,16,18,21-22,28H,6-15,17H2,1-3H3/t22-/m0/s1
InChIKeySMFDUNBACDAAQN-QFIPXVFZSA-N
MW391.58 g/mol
LogP3.52
Rot. Bonds7

About 2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol (PubChem CID 29256265) has the molecular formula C23H38FN3O and a molecular weight of 391.58 g/mol. Its IUPAC name is 2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
PubChem CID29256265
Molecular FormulaC23H38FN3O
Molecular Weight391.58 g/mol
Exact Mass391.30
IUPAC Name2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCc1cc(F)ccc1N1CCC(N2CCN(CCC(C)C)[C@@H](CCO)C2)CC1
InChIInChI=1S/C23H38FN3O/c1-18(2)6-10-25-13-14-27(17-22(25)9-15-28)21-7-11-26(12-8-21)23-5-4-20(24)16-19(23)3/h4-5,16,18,21-22,28H,6-15,17H2,1-3H3/t22-/m0/s1
InChIKeySMFDUNBACDAAQN-QFIPXVFZSA-N
XLogP3.52
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

1-Piperazineethanol, 4-o-tolyl-
CID 96700
{1-[2-(Aminomethyl)phenyl]piperidin-4-yl}methanol
CID 2764546
2-(4-o-Tolyl-piperazin-1-yl)-cyclohexanol
CID 15925813
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
1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(3-hydroxy-3-methylbutyl)-
CID 89526
1-[2-(1-Aminoethyl)-4-fluorophenyl]piperidin-4-ol
CID 43188858
1-(2-Methylallyl)-4-(4-phenylpiperazin-1-yl)piperidin-3-ol
CID 44410788
1-Benzyl-3-(4-phenylpiperazin-1-yl)piperidin-4-ol
CID 44410886

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol (CID 29256265) is 2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol is Cc1cc(F)ccc1N1CCC(N2CCN(CCC(C)C)[C@@H](CCO)C2)CC1.
What is the InChIKey of 2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The InChIKey is SMFDUNBACDAAQN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H38FN3O/c1-18(2)6-10-25-13-14-27(17-22(25)9-15-28)21-7-11-26(12-8-21)23-5-4-20(24)16-19(23)3/h4-5,16,18,21-22,28H,6-15,17H2,1-3H3/t22-/m0/s1.
What are the key properties of 2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol has a molecular weight of 391.58 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 29256265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).