1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one

C15H28N2O2 — CID 55049095

IUPAC1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)N1CCCCC1CCO
InChIInChI=1S/C15H28N2O2/c18-12-8-14-3-1-2-11-17(14)15(19)5-4-13-6-9-16-10-7-13/h13-14,16,18H,1-12H2
InChIKeyDQCLKBGVWKAMPH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds5

About 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one

1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one (PubChem CID 55049095) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
PubChem CID55049095
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)N1CCCCC1CCO
InChIInChI=1S/C15H28N2O2/c18-12-8-14-3-1-2-11-17(14)15(19)5-4-13-6-9-16-10-7-13/h13-14,16,18H,1-12H2
InChIKeyDQCLKBGVWKAMPH-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62479215
1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 62210226
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone
CID 63876352
1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 62210229
3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469307
1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid
CID 64564068
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 124689756
3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 60743171
1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone
CID 112701871
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-cyclohexylpropan-1-one
CID 80675414
5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 82682909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one (CID 55049095) is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one is O=C(CCC1CCNCC1)N1CCCCC1CCO.
What is the InChIKey of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one?
The InChIKey is DQCLKBGVWKAMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c18-12-8-14-3-1-2-11-17(14)15(19)5-4-13-6-9-16-10-7-13/h13-14,16,18H,1-12H2.
What are the key properties of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one?
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 55049095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).