2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone

C14H27N3O2 — CID 84755569

IUPAC2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(N2CCCCC2CCO)C1
InChIInChI=1S/C14H27N3O2/c15-10-14(19)16-7-3-5-13(11-16)17-8-2-1-4-12(17)6-9-18/h12-13,18H,1-11,15H2
InChIKeyAHNQDVPULAXJQK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.17
Rot. Bonds4

About 2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone

2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 84755569) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID84755569
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(N2CCCCC2CCO)C1
InChIInChI=1S/C14H27N3O2/c15-10-14(19)16-7-3-5-13(11-16)17-8-2-1-4-12(17)6-9-18/h12-13,18H,1-11,15H2
InChIKeyAHNQDVPULAXJQK-UHFFFAOYSA-N
XLogP0.17
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
CID 75576493
3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid
CID 84755515
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698
2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone
CID 84755275
3-(1-cyclopentylpyrrolidin-2-yl)propan-1-amine
CID 63764075
2-(1-cyclopentylpyrrolidin-2-yl)ethanamine
CID 73440122
2-[1-(azepan-4-yl)piperidin-2-yl]ethanol
CID 103983135
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
(3S)-1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81126149
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 107216980

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 84755569) is 2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone is NCC(=O)N1CCCC(N2CCCCC2CCO)C1.
What is the InChIKey of 2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is AHNQDVPULAXJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c15-10-14(19)16-7-3-5-13(11-16)17-8-2-1-4-12(17)6-9-18/h12-13,18H,1-11,15H2.
What are the key properties of 2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone?
2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 269.39 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 84755569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).