1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol

C25H36N2O2 — CID 59549352

IUPAC1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol
SMILESCCC(C)C(CN1CCC(O)CC1)NCc1cccc(Oc2ccc(C)cc2)c1
InChIInChI=1S/C25H36N2O2/c1-4-20(3)25(18-27-14-12-22(28)13-15-27)26-17-21-6-5-7-24(16-21)29-23-10-8-19(2)9-11-23/h5-11,16,20,22,25-26,28H,4,12-15,17-18H2,1-3H3
InChIKeyKRZSRQNKIDXDHS-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.75
Rot. Bonds9

About 1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol

1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol (PubChem CID 59549352) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol
PubChem CID59549352
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol
SMILESCCC(C)C(CN1CCC(O)CC1)NCc1cccc(Oc2ccc(C)cc2)c1
InChIInChI=1S/C25H36N2O2/c1-4-20(3)25(18-27-14-12-22(28)13-15-27)26-17-21-6-5-7-24(16-21)29-23-10-8-19(2)9-11-23/h5-11,16,20,22,25-26,28H,4,12-15,17-18H2,1-3H3
InChIKeyKRZSRQNKIDXDHS-UHFFFAOYSA-N
XLogP4.75
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol?
The IUPAC name of 1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol (CID 59549352) is 1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol?
The canonical SMILES for 1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol is CCC(C)C(CN1CCC(O)CC1)NCc1cccc(Oc2ccc(C)cc2)c1.
What is the InChIKey of 1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol?
The InChIKey is KRZSRQNKIDXDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-4-20(3)25(18-27-14-12-22(28)13-15-27)26-17-21-6-5-7-24(16-21)29-23-10-8-19(2)9-11-23/h5-11,16,20,22,25-26,28H,4,12-15,17-18H2,1-3H3.
What are the key properties of 1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol?
1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol has a molecular weight of 396.58 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol is sourced from PubChem (CID 59549352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).