4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol

C26H30N2O2 — CID 166219449

IUPAC4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol
SMILESCc1ccc(CC2(O)CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)cc1
InChIInChI=1S/C26H30N2O2/c1-21-4-6-22(7-5-21)17-26(29)12-15-28(16-13-26)19-23-8-10-25(11-9-23)30-20-24-3-2-14-27-18-24/h2-11,14,18,29H,12-13,15-17,19-20H2,1H3
InChIKeyATOLHTALOGZMQU-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.54
Rot. Bonds7

About 4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol

4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol (PubChem CID 166219449) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol
PubChem CID166219449
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol
SMILESCc1ccc(CC2(O)CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)cc1
InChIInChI=1S/C26H30N2O2/c1-21-4-6-22(7-5-21)17-26(29)12-15-28(16-13-26)19-23-8-10-25(11-9-23)30-20-24-3-2-14-27-18-24/h2-11,14,18,29H,12-13,15-17,19-20H2,1H3
InChIKeyATOLHTALOGZMQU-UHFFFAOYSA-N
XLogP4.54
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol with MolForge

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Related Compounds

1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 46965816
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
CID 156825214
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 46963018
1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone
CID 97370728
8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372599
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
1-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-[(4-methylphenoxy)methyl]azepan-4-ol
CID 132766922

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol (CID 166219449) is 4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol is Cc1ccc(CC2(O)CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol?
The InChIKey is ATOLHTALOGZMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-21-4-6-22(7-5-21)17-26(29)12-15-28(16-13-26)19-23-8-10-25(11-9-23)30-20-24-3-2-14-27-18-24/h2-11,14,18,29H,12-13,15-17,19-20H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol?
4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol has a molecular weight of 402.54 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 166219449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).