[(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol

C26H35FN2O — CID 29002228

IUPAC[(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol
SMILESOC[C@@]1(Cc2ccc(F)cc2)CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C26H35FN2O/c27-24-9-7-23(8-10-24)19-26(21-30)14-4-15-29(20-26)25-12-17-28(18-13-25)16-11-22-5-2-1-3-6-22/h1-3,5-10,25,30H,4,11-21H2/t26-/m1/s1
InChIKeyCESVNUOWKPJCMA-AREMUKBSSA-N
MW410.58 g/mol
LogP4.15
Rot. Bonds7

About [(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol

[(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol (PubChem CID 29002228) has the molecular formula C26H35FN2O and a molecular weight of 410.58 g/mol. Its IUPAC name is [(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol
PubChem CID29002228
Molecular FormulaC26H35FN2O
Molecular Weight410.58 g/mol
Exact Mass410.27
IUPAC Name[(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol
SMILESOC[C@@]1(Cc2ccc(F)cc2)CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C26H35FN2O/c27-24-9-7-23(8-10-24)19-26(21-30)14-4-15-29(20-26)25-12-17-28(18-13-25)16-11-22-5-2-1-3-6-22/h1-3,5-10,25,30H,4,11-21H2/t26-/m1/s1
InChIKeyCESVNUOWKPJCMA-AREMUKBSSA-N
XLogP4.15
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 45171513
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301
[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol
CID 45183780
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234
[1-(2,3-dihydro-1H-inden-2-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45240458
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
[(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
CID 95197933
ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate
CID 28732842
[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-2-yl]methanol
CID 23911512
[(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol
CID 42189124
[1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 56744626
4-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034615

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol (CID 29002228) is [(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol is OC[C@@]1(Cc2ccc(F)cc2)CCCN(C2CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of [(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is CESVNUOWKPJCMA-AREMUKBSSA-N. The full InChI is InChI=1S/C26H35FN2O/c27-24-9-7-23(8-10-24)19-26(21-30)14-4-15-29(20-26)25-12-17-28(18-13-25)16-11-22-5-2-1-3-6-22/h1-3,5-10,25,30H,4,11-21H2/t26-/m1/s1.
What are the key properties of [(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol?
[(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 410.58 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 29002228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).