1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol

C24H33NO3 — CID 110533457

IUPAC1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol
SMILESCCOc1cc(CC2CN(Cc3ccccc3)CCC2O)ccc1OC(C)C
InChIInChI=1S/C24H33NO3/c1-4-27-24-15-20(10-11-23(24)28-18(2)3)14-21-17-25(13-12-22(21)26)16-19-8-6-5-7-9-19/h5-11,15,18,21-22,26H,4,12-14,16-17H2,1-3H3
InChIKeyJFORQAIMYFBROT-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.30
Rot. Bonds8

About 1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol

1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol (PubChem CID 110533457) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol
PubChem CID110533457
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol
SMILESCCOc1cc(CC2CN(Cc3ccccc3)CCC2O)ccc1OC(C)C
InChIInChI=1S/C24H33NO3/c1-4-27-24-15-20(10-11-23(24)28-18(2)3)14-21-17-25(13-12-22(21)26)16-19-8-6-5-7-9-19/h5-11,15,18,21-22,26H,4,12-14,16-17H2,1-3H3
InChIKeyJFORQAIMYFBROT-UHFFFAOYSA-N
XLogP4.30
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538251
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
1-benzyl-3-[[3,5-dichloro-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-ol
CID 110531194
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110538030
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol
CID 110531863
1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110535914
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
(3R,4R)-1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-4-hydroxy-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 163318221
3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110532589
2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one
CID 82185931

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol (CID 110533457) is 1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol is CCOc1cc(CC2CN(Cc3ccccc3)CCC2O)ccc1OC(C)C.
What is the InChIKey of 1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol?
The InChIKey is JFORQAIMYFBROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-4-27-24-15-20(10-11-23(24)28-18(2)3)14-21-17-25(13-12-22(21)26)16-19-8-6-5-7-9-19/h5-11,15,18,21-22,26H,4,12-14,16-17H2,1-3H3.
What are the key properties of 1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol?
1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol has a molecular weight of 383.53 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 110533457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).