(2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C12H21NO2 — CID 103915216

IUPAC(2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCC1(C)CC1C(=O)N1CCCCC1CO
InChIInChI=1S/C12H21NO2/c1-12(2)7-10(12)11(15)13-6-4-3-5-9(13)8-14/h9-10,14H,3-8H2,1-2H3
InChIKeyZEQYJFNIQYGDKA-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.41
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 103915216) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID103915216
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCC1(C)CC1C(=O)N1CCCCC1CO
InChIInChI=1S/C12H21NO2/c1-12(2)7-10(12)11(15)13-6-4-3-5-9(13)8-14/h9-10,14H,3-8H2,1-2H3
InChIKeyZEQYJFNIQYGDKA-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
CID 107001622
[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003183
[(2S)-2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 164648318
[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003212
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
(2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107002178
1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131933868
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
2-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116634329
(3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 114084147
[2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 63715085

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 103915216) is (2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is CC1(C)CC1C(=O)N1CCCCC1CO.
What is the InChIKey of (2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is ZEQYJFNIQYGDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2)7-10(12)11(15)13-6-4-3-5-9(13)8-14/h9-10,14H,3-8H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 211.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103915216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).