4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol

C12H23NO — CID 79190005

IUPAC4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)=CC1(O)CCN(C(C)C)CC1
InChIInChI=1S/C12H23NO/c1-10(2)9-12(14)5-7-13(8-6-12)11(3)4/h9,11,14H,5-8H2,1-4H3
InChIKeyRYAKIESCASISNU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds2

About 4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol

4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol (PubChem CID 79190005) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol
PubChem CID79190005
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)=CC1(O)CCN(C(C)C)CC1
InChIInChI=1S/C12H23NO/c1-10(2)9-12(14)5-7-13(8-6-12)11(3)4/h9,11,14H,5-8H2,1-4H3
InChIKeyRYAKIESCASISNU-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol (CID 79190005) is 4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol is CC(C)=CC1(O)CCN(C(C)C)CC1.
What is the InChIKey of 4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol?
The InChIKey is RYAKIESCASISNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)9-12(14)5-7-13(8-6-12)11(3)4/h9,11,14H,5-8H2,1-4H3.
What are the key properties of 4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol?
4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 79190005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).