[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone

C13H24N2O2 — CID 129371132

IUPAC[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
SMILESC[C@@H](O)C1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-10(16)11-4-8-15(9-5-11)13(17)12-2-6-14-7-3-12/h10-12,14,16H,2-9H2,1H3/t10-/m1/s1
InChIKeyZHOMOHMDIJRCAR-SNVBAGLBSA-N
MW240.35 g/mol
LogP0.61
Rot. Bonds2

About [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone

[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone (PubChem CID 129371132) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
PubChem CID129371132
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
SMILESC[C@@H](O)C1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-10(16)11-4-8-15(9-5-11)13(17)12-2-6-14-7-3-12/h10-12,14,16H,2-9H2,1H3/t10-/m1/s1
InChIKeyZHOMOHMDIJRCAR-SNVBAGLBSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-4-ylethanone
CID 103810262
[4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone
CID 119300129
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 112537686
[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119345602
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone (CID 129371132) is [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone is C[C@@H](O)C1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is ZHOMOHMDIJRCAR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(16)11-4-8-15(9-5-11)13(17)12-2-6-14-7-3-12/h10-12,14,16H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone?
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 240.35 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 129371132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).