5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one

C12H24N2O2 — CID 104683725

IUPAC5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C12H24N2O2/c1-10(4-2-6-13)12(16)14-7-3-5-11(8-14)9-15/h10-11,15H,2-9,13H2,1H3
InChIKeyITFNTABKGNVBDL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.59
Rot. Bonds5

About 5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one

5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one (PubChem CID 104683725) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
PubChem CID104683725
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C12H24N2O2/c1-10(4-2-6-13)12(16)14-7-3-5-11(8-14)9-15/h10-11,15H,2-9,13H2,1H3
InChIKeyITFNTABKGNVBDL-UHFFFAOYSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 65290352
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
5-amino-2-methyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 104684580
1-[3-(hydroxymethyl)piperidin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107023266
(2S)-2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155100
6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 107217037
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43590415
2-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]acetic acid
CID 62669859
2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43422444
5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104685126
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 116674991

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one (CID 104683725) is 5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one is CC(CCCN)C(=O)N1CCCC(CO)C1.
What is the InChIKey of 5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
The InChIKey is ITFNTABKGNVBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(4-2-6-13)12(16)14-7-3-5-11(8-14)9-15/h10-11,15H,2-9,13H2,1H3.
What are the key properties of 5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 104683725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).