1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol

C24H40N2O4 — CID 2855866

IUPAC1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)COc2ccc(OCC(O)CN3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C24H40N2O4/c1-19-7-11-25(12-8-19)15-21(27)17-29-23-3-5-24(6-4-23)30-18-22(28)16-26-13-9-20(2)10-14-26/h3-6,19-22,27-28H,7-18H2,1-2H3
InChIKeyPQWUJLKTIKKLKM-UHFFFAOYSA-N
MW420.59 g/mol
LogP2.63
Rot. Bonds10

About 1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 2855866) has the molecular formula C24H40N2O4 and a molecular weight of 420.59 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID2855866
Molecular FormulaC24H40N2O4
Molecular Weight420.59 g/mol
Exact Mass420.30
IUPAC Name1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)COc2ccc(OCC(O)CN3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C24H40N2O4/c1-19-7-11-25(12-8-19)15-21(27)17-29-23-3-5-24(6-4-23)30-18-22(28)16-26-13-9-20(2)10-14-26/h3-6,19-22,27-28H,7-18H2,1-2H3
InChIKeyPQWUJLKTIKKLKM-UHFFFAOYSA-N
XLogP2.63
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.59
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 2855866) is 1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)COc2ccc(OCC(O)CN3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is PQWUJLKTIKKLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O4/c1-19-7-11-25(12-8-19)15-21(27)17-29-23-3-5-24(6-4-23)30-18-22(28)16-26-13-9-20(2)10-14-26/h3-6,19-22,27-28H,7-18H2,1-2H3.
What are the key properties of 1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 420.59 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 2855866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).