1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol

C27H38N2O3 — CID 175643135

IUPAC1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
SMILESOCC1CCN(CC(O)COc2cccc(CN3CCC(c4ccccc4)CC3)c2)CC1
InChIInChI=1S/C27H38N2O3/c30-20-22-9-13-29(14-10-22)19-26(31)21-32-27-8-4-5-23(17-27)18-28-15-11-25(12-16-28)24-6-2-1-3-7-24/h1-8,17,22,25-26,30-31H,9-16,18-21H2
InChIKeyQUPXTZNABLZOHN-UHFFFAOYSA-N
MW438.61 g/mol
LogP3.51
Rot. Bonds9

About 1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol

1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol (PubChem CID 175643135) has the molecular formula C27H38N2O3 and a molecular weight of 438.61 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
PubChem CID175643135
Molecular FormulaC27H38N2O3
Molecular Weight438.61 g/mol
Exact Mass438.29
IUPAC Name1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
SMILESOCC1CCN(CC(O)COc2cccc(CN3CCC(c4ccccc4)CC3)c2)CC1
InChIInChI=1S/C27H38N2O3/c30-20-22-9-13-29(14-10-22)19-26(31)21-32-27-8-4-5-23(17-27)18-28-15-11-25(12-16-28)24-6-2-1-3-7-24/h1-8,17,22,25-26,30-31H,9-16,18-21H2
InChIKeyQUPXTZNABLZOHN-UHFFFAOYSA-N
XLogP3.51
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-(3-aminophenoxy)-3-[4-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 43364555
(2R)-1-(azepan-1-yl)-3-[3-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97285580
(2S)-1-(azepan-1-yl)-3-[3-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97285581
(2R)-1-(azepan-1-yl)-3-[3-(azetidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97274515
1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride
CID 53313606
methyl 1-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperidine-4-carboxylate
CID 45205503
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
(2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
CID 97278253
1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one
CID 18446026
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one
CID 172659890

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol (CID 175643135) is 1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol is OCC1CCN(CC(O)COc2cccc(CN3CCC(c4ccccc4)CC3)c2)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol?
The InChIKey is QUPXTZNABLZOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O3/c30-20-22-9-13-29(14-10-22)19-26(31)21-32-27-8-4-5-23(17-27)18-28-15-11-25(12-16-28)24-6-2-1-3-7-24/h1-8,17,22,25-26,30-31H,9-16,18-21H2.
What are the key properties of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol?
1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol has a molecular weight of 438.61 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 175643135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).