4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol

C25H28N2O2 — CID 46965816

IUPAC4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)cc1
InChIInChI=1S/C25H28N2O2/c1-20-5-9-22(10-6-20)25(28)13-16-27(17-14-25)18-21-7-11-24(12-8-21)29-19-23-4-2-3-15-26-23/h2-12,15,28H,13-14,16-19H2,1H3
InChIKeyUGGHQJYCCJJCAM-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.45
Rot. Bonds6

About 4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol

4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol (PubChem CID 46965816) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
PubChem CID46965816
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)cc1
InChIInChI=1S/C25H28N2O2/c1-20-5-9-22(10-6-20)25(28)13-16-27(17-14-25)18-21-7-11-24(12-8-21)29-19-23-4-2-3-15-26-23/h2-12,15,28H,13-14,16-19H2,1H3
InChIKeyUGGHQJYCCJJCAM-UHFFFAOYSA-N
XLogP4.45
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171667363
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 42624389
formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 171316787
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051
[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 110908637
3-[(4,4-difluoropiperidin-1-yl)methyl]-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 132772030
4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 166219449
(3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129454913
2-[[4-(pyrazol-1-ylmethyl)phenoxy]methyl]pyridine
CID 141170950
(3S,4S)-4-(4-methylpiperazin-1-yl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129458176
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 169171763
N-[pyridin-2-yl-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 110226608

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol (CID 46965816) is 4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol is Cc1ccc(C2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol?
The InChIKey is UGGHQJYCCJJCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-20-5-9-22(10-6-20)25(28)13-16-27(17-14-25)18-21-7-11-24(12-8-21)29-19-23-4-2-3-15-26-23/h2-12,15,28H,13-14,16-19H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol?
4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol has a molecular weight of 388.51 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 46965816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).