6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one

C12H24N2O2 — CID 43579311

IUPAC6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one
SMILESNCCCCCC(=O)N1CCCCC1CO
InChIInChI=1S/C12H24N2O2/c13-8-4-1-2-7-12(16)14-9-5-3-6-11(14)10-15/h11,15H,1-10,13H2
InChIKeyCXUWKCHPGHARHF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.88
Rot. Bonds6

About 6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one

6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one (PubChem CID 43579311) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one
PubChem CID43579311
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one
SMILESNCCCCCC(=O)N1CCCCC1CO
InChIInChI=1S/C12H24N2O2/c13-8-4-1-2-7-12(16)14-9-5-3-6-11(14)10-15/h11,15H,1-10,13H2
InChIKeyCXUWKCHPGHARHF-UHFFFAOYSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 53399018
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
5-hydroxy-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one
CID 79199717
5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one
CID 107908372
4-hydroxy-1-[2-(hydroxymethyl)azepan-1-yl]butan-1-one
CID 116640578
N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944857
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916
7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one
CID 62889816
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(hydroxymethyl)azepan-1-yl]-4-methoxybutan-1-one
CID 116635836
4-ethoxy-1-[2-(hydroxymethyl)azepan-1-yl]butan-1-one
CID 116635896

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one (CID 43579311) is 6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one is NCCCCCC(=O)N1CCCCC1CO.
What is the InChIKey of 6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
The InChIKey is CXUWKCHPGHARHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c13-8-4-1-2-7-12(16)14-9-5-3-6-11(14)10-15/h11,15H,1-10,13H2.
What are the key properties of 6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 43579311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).