1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol

C17H25NO2 — CID 142475430

IUPAC1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol
SMILESCC(C)=CC(COc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C17H25NO2/c1-14(2)12-15(18-10-8-16(19)9-11-18)13-20-17-6-4-3-5-7-17/h3-7,12,15-16,19H,8-11,13H2,1-2H3
InChIKeyVNGPQZNCOBVWRH-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.86
Rot. Bonds5

About 1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol

1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol (PubChem CID 142475430) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol
PubChem CID142475430
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol
SMILESCC(C)=CC(COc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C17H25NO2/c1-14(2)12-15(18-10-8-16(19)9-11-18)13-20-17-6-4-3-5-7-17/h3-7,12,15-16,19H,8-11,13H2,1-2H3
InChIKeyVNGPQZNCOBVWRH-UHFFFAOYSA-N
XLogP2.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol?
The IUPAC name of 1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol (CID 142475430) is 1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol?
The canonical SMILES for 1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol is CC(C)=CC(COc1ccccc1)N1CCC(O)CC1.
What is the InChIKey of 1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol?
The InChIKey is VNGPQZNCOBVWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(2)12-15(18-10-8-16(19)9-11-18)13-20-17-6-4-3-5-7-17/h3-7,12,15-16,19H,8-11,13H2,1-2H3.
What are the key properties of 1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol?
1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol has a molecular weight of 275.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidin-4-ol is sourced from PubChem (CID 142475430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).