ethane;methyl 2-piperidin-2-ylacetate

C10H21NO2 — CID 168986004

IUPACethane;methyl 2-piperidin-2-ylacetate
SMILESCC.COC(=O)CC1CCCCN1
InChIInChI=1S/C8H15NO2.C2H6/c1-11-8(10)6-7-4-2-3-5-9-7;1-2/h7,9H,2-6H2,1H3;1-2H3
InChIKeyRLDOFXWGBMFEDQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds2

About ethane;methyl 2-piperidin-2-ylacetate

ethane;methyl 2-piperidin-2-ylacetate (PubChem CID 168986004) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethane;methyl 2-piperidin-2-ylacetate.

Molecular Properties

Compound Nameethane;methyl 2-piperidin-2-ylacetate
PubChem CID168986004
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethane;methyl 2-piperidin-2-ylacetate
SMILESCC.COC(=O)CC1CCCCN1
InChIInChI=1S/C8H15NO2.C2H6/c1-11-8(10)6-7-4-2-3-5-9-7;1-2/h7,9H,2-6H2,1H3;1-2H3
InChIKeyRLDOFXWGBMFEDQ-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(azocan-2-yl)acetate
CID 86040521
methyl 2-(1,4-diazepan-5-yl)acetate
CID 23090340
methyl 4-piperidin-2-ylbutanoate;hydrochloride
CID 66772062
1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
methyl 2-(diazinan-3-yl)acetate
CID 91286316
methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride
CID 72716377
cyclohexyl 2-pyrrolidin-2-ylacetate
CID 61372710
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628
2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
1-(azocan-2-yl)-3-methylbutan-2-one
CID 130491231
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
cyclopentylmethyl 2-pyrrolidin-2-ylacetate
CID 66323077

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-piperidin-2-ylacetate?
The IUPAC name of ethane;methyl 2-piperidin-2-ylacetate (CID 168986004) is ethane;methyl 2-piperidin-2-ylacetate.
What is the SMILES notation for ethane;methyl 2-piperidin-2-ylacetate?
The canonical SMILES for ethane;methyl 2-piperidin-2-ylacetate is CC.COC(=O)CC1CCCCN1.
What is the InChIKey of ethane;methyl 2-piperidin-2-ylacetate?
The InChIKey is RLDOFXWGBMFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-11-8(10)6-7-4-2-3-5-9-7;1-2/h7,9H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;methyl 2-piperidin-2-ylacetate?
ethane;methyl 2-piperidin-2-ylacetate has a molecular weight of 187.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-piperidin-2-ylacetate is sourced from PubChem (CID 168986004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).