2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone

C19H29NO2 — CID 70398379

IUPAC2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone
SMILESCCCCCCN1CCC(O)CC1CC(=O)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-2-3-4-8-12-20-13-11-18(21)14-17(20)15-19(22)16-9-6-5-7-10-16/h5-7,9-10,17-18,21H,2-4,8,11-15H2,1H3
InChIKeyMZTNPTMZVGOOLV-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.66
Rot. Bonds8

About 2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone

2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone (PubChem CID 70398379) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone
PubChem CID70398379
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone
SMILESCCCCCCN1CCC(O)CC1CC(=O)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-2-3-4-8-12-20-13-11-18(21)14-17(20)15-19(22)16-9-6-5-7-10-16/h5-7,9-10,17-18,21H,2-4,8,11-15H2,1H3
InChIKeyMZTNPTMZVGOOLV-UHFFFAOYSA-N
XLogP3.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-1-nonylpiperidin-4-ol
CID 126625553
4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one
CID 54171344
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
1-phenylheptadecan-1-one
CID 577626
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613
2-(hydroxymethyl)-1-[5-[(1R)-1-(4-phenylphenyl)ethoxy]pentyl]piperidin-4-ol
CID 166785881
2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone
CID 122364456
2-(2-pentylpiperazin-1-yl)-1-phenylethanone
CID 66668802
benzoic acid;1-methyl-3-nonyl-2H-imidazole
CID 175229008
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
1-butyl-2-methylpiperidin-4-ol
CID 119028950

Frequently Asked Questions

What is the IUPAC name of 2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone?
The IUPAC name of 2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone (CID 70398379) is 2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone is CCCCCCN1CCC(O)CC1CC(=O)c1ccccc1.
What is the InChIKey of 2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone?
The InChIKey is MZTNPTMZVGOOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-2-3-4-8-12-20-13-11-18(21)14-17(20)15-19(22)16-9-6-5-7-10-16/h5-7,9-10,17-18,21H,2-4,8,11-15H2,1H3.
What are the key properties of 2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone?
2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone has a molecular weight of 303.45 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hexyl-4-hydroxypiperidin-2-yl)-1-phenylethanone is sourced from PubChem (CID 70398379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).