3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one

C11H22N2O2 — CID 81071735

IUPAC3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CCCC(O)C1
InChIInChI=1S/C11H22N2O2/c1-2-9(7-12)6-11(15)13-5-3-4-10(14)8-13/h9-10,14H,2-8,12H2,1H3
InChIKeyYNUXCJVQVHYVJA-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds4

About 3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one

3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one (PubChem CID 81071735) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
PubChem CID81071735
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CCCC(O)C1
InChIInChI=1S/C11H22N2O2/c1-2-9(7-12)6-11(15)13-5-3-4-10(14)8-13/h9-10,14H,2-8,12H2,1H3
InChIKeyYNUXCJVQVHYVJA-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 81087100
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide
CID 103195301
4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 103154344
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one
CID 107222910
3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 81071625
3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409154
4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 81080868
3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 81071725
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 104982251
1-(3-hydroxypiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 60841645

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one (CID 81071735) is 3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one is CCC(CN)CC(=O)N1CCCC(O)C1.
What is the InChIKey of 3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one?
The InChIKey is YNUXCJVQVHYVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-9(7-12)6-11(15)13-5-3-4-10(14)8-13/h9-10,14H,2-8,12H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one?
3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 81071735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).