2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one

C15H28N2O2 — CID 55064381

IUPAC2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCCC(CCO)C1
InChIInChI=1S/C15H28N2O2/c1-13(15(19)16-8-3-2-4-9-16)17-10-5-6-14(12-17)7-11-18/h13-14,18H,2-12H2,1H3
InChIKeySYLLWQUIRSBBLK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds4

About 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one

2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 55064381) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID55064381
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCCC(CCO)C1
InChIInChI=1S/C15H28N2O2/c1-13(15(19)16-8-3-2-4-9-16)17-10-5-6-14(12-17)7-11-18/h13-14,18H,2-12H2,1H3
InChIKeySYLLWQUIRSBBLK-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminoethyl)piperidin-1-yl]-1-(azepan-1-yl)propan-1-one;hydrochloride
CID 120728309
2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 102977209
2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 61297073
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
1-piperidin-1-yl-2-[3-(propylaminomethyl)piperidin-1-yl]propan-1-one
CID 63848820
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propylpropanamide
CID 62358014
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidine-3-carbaldehyde
CID 62654386
4-[3-(2-hydroxyethyl)piperidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 107214215
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63845229
1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 63854094

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 55064381) is 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)N1CCCC(CCO)C1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is SYLLWQUIRSBBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(15(19)16-8-3-2-4-9-16)17-10-5-6-14(12-17)7-11-18/h13-14,18H,2-12H2,1H3.
What are the key properties of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 55064381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).