6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane

C17H35NO2 — CID 145077037

IUPAC6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane
SMILESCC1CCN(C(=O)CCCCCO)CC1.CCCCC
InChIInChI=1S/C12H23NO2.C5H12/c1-11-6-8-13(9-7-11)12(15)5-3-2-4-10-14;1-3-5-4-2/h11,14H,2-10H2,1H3;3-5H2,1-2H3
InChIKeyROWGNBTUIRUZDJ-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.99
Rot. Bonds7

About 6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane

6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane (PubChem CID 145077037) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane.

Molecular Properties

Compound Name6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane
PubChem CID145077037
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane
SMILESCC1CCN(C(=O)CCCCCO)CC1.CCCCC
InChIInChI=1S/C12H23NO2.C5H12/c1-11-6-8-13(9-7-11)12(15)5-3-2-4-10-14;1-3-5-4-2/h11,14H,2-10H2,1H3;3-5H2,1-2H3
InChIKeyROWGNBTUIRUZDJ-UHFFFAOYSA-N
XLogP3.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.99
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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Related Compounds

3-(1-Acetylpiperidin-4-yl)propanoic acid
CID 9855751
1-[4-(2-Hydroxy-1-methyl-ethyl)-piperidin-1-yl]-tridecan-1-one
CID 44271494
3-(N-Acetyl-4-piperidinyl)propanol
CID 21468229
6,6,6-Trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 145241923
6-Hydroxy-1-(1-piperidinyl-1-hexanone
CID 13088432
1-Ethyl-5-(2-hydroxyethyl)piperidin-2-one
CID 18726886
1-[3-(Hydroxymethyl)piperidin-1-yl]hexadecan-1-one
CID 20136358
1-[3-(2-Hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 20729524
1-[2-(Hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one
CID 21297971
N-ethyl-6-hydroxy-N-(3-methylbutan-2-yl)hexanamide
CID 22749908
1-(4-(Hydroxymethyl)piperidin-1-yl)butan-1-one
CID 28345356
1-(4-Hydroxymethylpiperidin-1-yl)-3-methyl butan-1-one
CID 28345359

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane?
The IUPAC name of 6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane (CID 145077037) is 6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane.
What is the SMILES notation for 6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane?
The canonical SMILES for 6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane is CC1CCN(C(=O)CCCCCO)CC1.CCCCC.
What is the InChIKey of 6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane?
The InChIKey is ROWGNBTUIRUZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C5H12/c1-11-6-8-13(9-7-11)12(15)5-3-2-4-10-14;1-3-5-4-2/h11,14H,2-10H2,1H3;3-5H2,1-2H3.
What are the key properties of 6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane?
6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane has a molecular weight of 285.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane is sourced from PubChem (CID 145077037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).