(3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C13H24N2O2 — CID 114084147

IUPAC(3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC1(C)CCCNC1C(=O)N1CCCC1CO
InChIInChI=1S/C13H24N2O2/c1-13(2)6-4-7-14-11(13)12(17)15-8-3-5-10(15)9-16/h10-11,14,16H,3-9H2,1-2H3
InChIKeyVAWTVNNZSYOUBK-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds2

About (3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 114084147) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID114084147
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC1(C)CCCNC1C(=O)N1CCCC1CO
InChIInChI=1S/C13H24N2O2/c1-13(2)6-4-7-14-11(13)12(17)15-8-3-5-10(15)9-16/h10-11,14,16H,3-9H2,1-2H3
InChIKeyVAWTVNNZSYOUBK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 114084147) is (3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is CC1(C)CCCNC1C(=O)N1CCCC1CO.
What is the InChIKey of (3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is VAWTVNNZSYOUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2)6-4-7-14-11(13)12(17)15-8-3-5-10(15)9-16/h10-11,14,16H,3-9H2,1-2H3.
What are the key properties of (3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-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 (3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114084147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).