[2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol

C20H26N2O2 — CID 111440232

IUPAC[2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C20H26N2O2/c23-14-18-3-1-2-4-20(18)22-13-16-5-7-19(8-6-16)24-15-17-9-11-21-12-10-17/h5-12,18,20,22-23H,1-4,13-15H2
InChIKeyRVPPLAICSIUTOA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.30
Rot. Bonds7

About [2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol

[2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol (PubChem CID 111440232) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is [2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol
PubChem CID111440232
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name[2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C20H26N2O2/c23-14-18-3-1-2-4-20(18)22-13-16-5-7-19(8-6-16)24-15-17-9-11-21-12-10-17/h5-12,18,20,22-23H,1-4,13-15H2
InChIKeyRVPPLAICSIUTOA-UHFFFAOYSA-N
XLogP3.30
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol (CID 111440232) is [2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol is OCC1CCCCC1NCc1ccc(OCc2ccncc2)cc1.
What is the InChIKey of [2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol?
The InChIKey is RVPPLAICSIUTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-14-18-3-1-2-4-20(18)22-13-16-5-7-19(8-6-16)24-15-17-9-11-21-12-10-17/h5-12,18,20,22-23H,1-4,13-15H2.
What are the key properties of [2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol?
[2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol has a molecular weight of 326.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol is sourced from PubChem (CID 111440232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).