4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one

C14H28N2O2 — CID 107222910

IUPAC4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one
SMILESCCCC(CCN)CCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C14H28N2O2/c1-2-4-12(8-9-15)6-7-14(18)16-10-3-5-13(17)11-16/h12-13,17H,2-11,15H2,1H3/t12?,13-/m0/s1
InChIKeyBQAJPZFILITOFW-ABLWVSNPSA-N
MW256.39 g/mol
LogP1.51
Rot. Bonds7

About 4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one

4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one (PubChem CID 107222910) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one
PubChem CID107222910
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one
SMILESCCCC(CCN)CCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C14H28N2O2/c1-2-4-12(8-9-15)6-7-14(18)16-10-3-5-13(17)11-16/h12-13,17H,2-11,15H2,1H3/t12?,13-/m0/s1
InChIKeyBQAJPZFILITOFW-ABLWVSNPSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one
CID 66371217
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
CID 81071735
4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one
CID 136558785
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one
CID 107217188
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
CID 107214957
6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one
CID 107222893
4-(aminomethyl)-1-(azepan-1-yl)heptan-1-one
CID 112515748
1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one
CID 107224835

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one?
The IUPAC name of 4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one (CID 107222910) is 4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one.
What is the SMILES notation for 4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one?
The canonical SMILES for 4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one is CCCC(CCN)CCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one?
The InChIKey is BQAJPZFILITOFW-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-4-12(8-9-15)6-7-14(18)16-10-3-5-13(17)11-16/h12-13,17H,2-11,15H2,1H3/t12?,13-/m0/s1.
What are the key properties of 4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one?
4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one is sourced from PubChem (CID 107222910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).