(4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone

C20H31NO2 — CID 72735810

IUPAC(4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone
SMILESCCCCCCCCc1ccc(C(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)20(23)21-15-13-19(22)14-16-21/h9-12,19,22H,2-8,13-16H2,1H3
InChIKeySGUNQORPACNMOZ-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.19
Rot. Bonds8

About (4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone

(4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone (PubChem CID 72735810) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone
PubChem CID72735810
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name(4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone
SMILESCCCCCCCCc1ccc(C(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)20(23)21-15-13-19(22)14-16-21/h9-12,19,22H,2-8,13-16H2,1H3
InChIKeySGUNQORPACNMOZ-UHFFFAOYSA-N
XLogP4.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone (CID 72735810) is (4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone is CCCCCCCCc1ccc(C(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone?
The InChIKey is SGUNQORPACNMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)20(23)21-15-13-19(22)14-16-21/h9-12,19,22H,2-8,13-16H2,1H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone?
(4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone has a molecular weight of 317.47 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone is sourced from PubChem (CID 72735810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).