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

C9H18N2O2 — CID 43590427

IUPAC2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C9H18N2O2/c1-7(10)9(13)11-4-2-3-8(5-11)6-12/h7-8,12H,2-6,10H2,1H3
InChIKeyJJGLCPFUSPMPRN-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.44
Rot. Bonds2

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

2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 43590427) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID43590427
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C9H18N2O2/c1-7(10)9(13)11-4-2-3-8(5-11)6-12/h7-8,12H,2-6,10H2,1H3
InChIKeyJJGLCPFUSPMPRN-UHFFFAOYSA-N
XLogP-0.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084
(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129495721
(2S)-2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155100
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 65290352
2-[1-(2-aminopropanoyl)piperidin-3-yl]acetamide;hydrochloride
CID 119339824
1-[3-(hydroxymethyl)piperidin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107023266
5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104683725
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554565
(2R)-2-amino-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129393445
N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 43590427) is 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one is CC(N)C(=O)N1CCCC(CO)C1.
What is the InChIKey of 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is JJGLCPFUSPMPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(10)9(13)11-4-2-3-8(5-11)6-12/h7-8,12H,2-6,10H2,1H3.
What are the key properties of 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 43590427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).