1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol

C17H27NO2 — CID 62795744

IUPAC1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol
SMILESCC(C)Oc1ccc(C2(O)CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H27NO2/c1-13(2)18-11-9-17(19,10-12-18)15-5-7-16(8-6-15)20-14(3)4/h5-8,13-14,19H,9-12H2,1-4H3
InChIKeyULGMYONWQLKWAW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds4

About 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol

1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol (PubChem CID 62795744) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol
PubChem CID62795744
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol
SMILESCC(C)Oc1ccc(C2(O)CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H27NO2/c1-13(2)18-11-9-17(19,10-12-18)15-5-7-16(8-6-15)20-14(3)4/h5-8,13-14,19H,9-12H2,1-4H3
InChIKeyULGMYONWQLKWAW-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol?
The IUPAC name of 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol (CID 62795744) is 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol is CC(C)Oc1ccc(C2(O)CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol?
The InChIKey is ULGMYONWQLKWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)18-11-9-17(19,10-12-18)15-5-7-16(8-6-15)20-14(3)4/h5-8,13-14,19H,9-12H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol?
1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol has a molecular weight of 277.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol is sourced from PubChem (CID 62795744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).