methyl 2-piperidin-3-ylacetate;dihydrochloride

C8H17Cl2NO2 — CID 141033576

IUPACmethyl 2-piperidin-3-ylacetate;dihydrochloride
SMILESCOC(=O)CC1CCCNC1.Cl.Cl
InChIInChI=1S/C8H15NO2.2ClH/c1-11-8(10)5-7-3-2-4-9-6-7;;/h7,9H,2-6H2,1H3;2*1H
InChIKeyKIUGUUXTPFLFQP-UHFFFAOYSA-N
MW230.13 g/mol
LogP1.39
Rot. Bonds2

About methyl 2-piperidin-3-ylacetate;dihydrochloride

methyl 2-piperidin-3-ylacetate;dihydrochloride (PubChem CID 141033576) has the molecular formula C8H17Cl2NO2 and a molecular weight of 230.13 g/mol. Its IUPAC name is methyl 2-piperidin-3-ylacetate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-piperidin-3-ylacetate;dihydrochloride
PubChem CID141033576
Molecular FormulaC8H17Cl2NO2
Molecular Weight230.13 g/mol
Exact Mass229.06
IUPAC Namemethyl 2-piperidin-3-ylacetate;dihydrochloride
SMILESCOC(=O)CC1CCCNC1.Cl.Cl
InChIInChI=1S/C8H15NO2.2ClH/c1-11-8(10)5-7-3-2-4-9-6-7;;/h7,9H,2-6H2,1H3;2*1H
InChIKeyKIUGUUXTPFLFQP-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.13
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
acetic acid;methyl 2-pyrrolidin-3-ylacetate
CID 70009063
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
CID 169177589
butan-2-yl 2-piperidin-3-ylacetate
CID 62690309
cyclobutyl 2-piperidin-3-ylacetate
CID 62690484
methyl 3-(2-piperidin-3-ylethylsulfanyl)propanoate
CID 62356884
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
2-ethoxyethyl 2-piperidin-3-ylacetate
CID 62690313
N-(2-methoxyethoxy)-2-piperidin-3-ylacetamide
CID 82722940
methyl 4-(piperidin-3-ylmethylsulfonyl)butanoate
CID 82182142

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-3-ylacetate;dihydrochloride?
The IUPAC name of methyl 2-piperidin-3-ylacetate;dihydrochloride (CID 141033576) is methyl 2-piperidin-3-ylacetate;dihydrochloride.
What is the SMILES notation for methyl 2-piperidin-3-ylacetate;dihydrochloride?
The canonical SMILES for methyl 2-piperidin-3-ylacetate;dihydrochloride is COC(=O)CC1CCCNC1.Cl.Cl.
What is the InChIKey of methyl 2-piperidin-3-ylacetate;dihydrochloride?
The InChIKey is KIUGUUXTPFLFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.2ClH/c1-11-8(10)5-7-3-2-4-9-6-7;;/h7,9H,2-6H2,1H3;2*1H.
What are the key properties of methyl 2-piperidin-3-ylacetate;dihydrochloride?
methyl 2-piperidin-3-ylacetate;dihydrochloride has a molecular weight of 230.13 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-3-ylacetate;dihydrochloride is sourced from PubChem (CID 141033576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).