[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone

C13H24N2O2 — CID 129371138

IUPAC[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
SMILESC[C@H](O)[C@H]1CCCCN1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C13H24N2O2/c1-10(16)12-6-2-3-8-15(12)13(17)11-5-4-7-14-9-11/h10-12,14,16H,2-9H2,1H3/t10-,11+,12+/m0/s1
InChIKeyRFZDVRJSRRAKLM-QJPTWQEYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds2

About [(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone

[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone (PubChem CID 129371138) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
PubChem CID129371138
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
SMILESC[C@H](O)[C@H]1CCCCN1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C13H24N2O2/c1-10(16)12-6-2-3-8-15(12)13(17)11-5-4-7-14-9-11/h10-12,14,16H,2-9H2,1H3/t10-,11+,12+/m0/s1
InChIKeyRFZDVRJSRRAKLM-QJPTWQEYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129494164
[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 129494165
(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 81134943
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
CID 102726290
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511
1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072
piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119326458
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308533
[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119802221
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The IUPAC name of [(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone (CID 129371138) is [(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone.
What is the SMILES notation for [(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The canonical SMILES for [(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone is C[C@H](O)[C@H]1CCCCN1C(=O)[C@@H]1CCCNC1.
What is the InChIKey of [(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The InChIKey is RFZDVRJSRRAKLM-QJPTWQEYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(16)12-6-2-3-8-15(12)13(17)11-5-4-7-14-9-11/h10-12,14,16H,2-9H2,1H3/t10-,11+,12+/m0/s1.
What are the key properties of [(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone?
[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone is sourced from PubChem (CID 129371138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).