1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone

C8H16N2O2 — CID 68628787

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone
SMILESNCC1CCN(C(=O)CO)CC1
InChIInChI=1S/C8H16N2O2/c9-5-7-1-3-10(4-2-7)8(12)6-11/h7,11H,1-6,9H2
InChIKeyBLCJIPFIZZVKER-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.82
Rot. Bonds2

About 1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone

1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone (PubChem CID 68628787) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone
PubChem CID68628787
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone
SMILESNCC1CCN(C(=O)CO)CC1
InChIInChI=1S/C8H16N2O2/c9-5-7-1-3-10(4-2-7)8(12)6-11/h7,11H,1-6,9H2
InChIKeyBLCJIPFIZZVKER-UHFFFAOYSA-N
XLogP-0.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 175660425
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone
CID 129267440
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
4-(aminomethyl)azepane-1-carboxylic acid
CID 175902283
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone (CID 68628787) is 1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone is NCC1CCN(C(=O)CO)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is BLCJIPFIZZVKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-5-7-1-3-10(4-2-7)8(12)6-11/h7,11H,1-6,9H2.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone?
1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 172.23 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 68628787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).