6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one

C12H24N2O2 — CID 43590415

IUPAC6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
SMILESNCCCCCC(=O)N1CCCC(CO)C1
InChIInChI=1S/C12H24N2O2/c13-7-3-1-2-6-12(16)14-8-4-5-11(9-14)10-15/h11,15H,1-10,13H2
InChIKeyLRPLLZVBEYLVQY-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.74
Rot. Bonds6

About 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one

6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one (PubChem CID 43590415) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
PubChem CID43590415
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
SMILESNCCCCCC(=O)N1CCCC(CO)C1
InChIInChI=1S/C12H24N2O2/c13-7-3-1-2-6-12(16)14-8-4-5-11(9-14)10-15/h11,15H,1-10,13H2
InChIKeyLRPLLZVBEYLVQY-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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

5-(Hydroxymethyl)piperidin-2-one
CID 15386079
1-[3-(Hydroxymethyl)-1-piperidinyl]-3-methyl-1-butanone
CID 43422397
4,4,4-trifluoro-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide
CID 129617363
4,4,4-trifluoro-N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide
CID 129617364
4,4,4-Trifluoro-N-{2-[3-(hydroxymethyl)piperidin-1-YL]ethyl}butanamide
CID 131923208
(R)-1-(3-(hydroxymethyl)piperidin-1-yl)-3-methylbutan-1-one
CID 28345459
(S)-1-(3-(hydroxymethyl)piperidin-1-yl)-3-methylbutan-1-one
CID 28345460
1-[3-(Hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43422151
1-[3-(Hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 43422336
1-(3-Hydroxymethyl-piperidin-1-yl)-butan-1-one
CID 43422408
2-Amino-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43590403
1-(3-(Hydroxymethyl)piperidin-1-yl)-2-(piperidin-4-yl)ethan-1-one
CID 43590540

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one (CID 43590415) is 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one is NCCCCCC(=O)N1CCCC(CO)C1.
What is the InChIKey of 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
The InChIKey is LRPLLZVBEYLVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c13-7-3-1-2-6-12(16)14-8-4-5-11(9-14)10-15/h11,15H,1-10,13H2.
What are the key properties of 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 43590415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).