(4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C12H22N2O2 — CID 107217135

IUPAC(4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCC1(C(=O)N2CC[C@@H](O)C2)CCNCC1
InChIInChI=1S/C12H22N2O2/c1-2-12(4-6-13-7-5-12)11(16)14-8-3-10(15)9-14/h10,13,15H,2-9H2,1H3/t10-/m1/s1
InChIKeyBYDZMVDBBXYLGI-SNVBAGLBSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds2

About (4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 107217135) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID107217135
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCC1(C(=O)N2CC[C@@H](O)C2)CCNCC1
InChIInChI=1S/C12H22N2O2/c1-2-12(4-6-13-7-5-12)11(16)14-8-3-10(15)9-14/h10,13,15H,2-9H2,1H3/t10-/m1/s1
InChIKeyBYDZMVDBBXYLGI-SNVBAGLBSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 107217135) is (4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CCC1(C(=O)N2CC[C@@H](O)C2)CCNCC1.
What is the InChIKey of (4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is BYDZMVDBBXYLGI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-12(4-6-13-7-5-12)11(16)14-8-3-10(15)9-14/h10,13,15H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of (4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 107217135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).