methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride

C8H16ClNO2 — CID 45074516

IUPACmethyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCOC(=O)C[C@@H]1CCCCN1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-8(10)6-7-4-2-3-5-9-7;/h7,9H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKeyKGLWWMPBPHRIHK-FJXQXJEOSA-N
MW193.67 g/mol
LogP1.11
Rot. Bonds2

About methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride

methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride (PubChem CID 45074516) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride
PubChem CID45074516
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCOC(=O)C[C@@H]1CCCCN1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-8(10)6-7-4-2-3-5-9-7;/h7,9H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKeyKGLWWMPBPHRIHK-FJXQXJEOSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Piperidin-2-yl)acetic acid
CID 3164325
(6R)-butyl 6-methylpiperidine-2-carboxylate hydrochloride
CID 9551733
Butyl 6-methyl-2-piperidinecarboxylate hydrochloride
CID 2834679
2-(Piperidin-2-yl)acetic acid hydrochloride
CID 12514712
(S)-2-(Piperidin-2-yl)acetic acid
CID 854351
Methyl 2-(piperidin-2-yl)acetate hydrochloride
CID 13778732
Methyl 2-(6-oxopiperidin-2-yl)acetate
CID 14587552
2-((2S)-piperidin-2-yl)acetic acid hydrochloride
CID 118235722
Methyl piperidin-2-ylacetate
CID 5214606
Ethyl piperidin-2-ylacetate
CID 436981
Tert-butyl 2-(piperidin-2-yl)acetate
CID 21600570
Methyl 2-(5,5-dimethylpiperidin-2-yl)acetate hydrochloride
CID 137944063

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The IUPAC name of methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride (CID 45074516) is methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride is COC(=O)C[C@@H]1CCCCN1.Cl.
What is the InChIKey of methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The InChIKey is KGLWWMPBPHRIHK-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-11-8(10)6-7-4-2-3-5-9-7;/h7,9H,2-6H2,1H3;1H/t7-;/m0./s1.
What are the key properties of methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-piperidin-2-yl]acetate;hydrochloride is sourced from PubChem (CID 45074516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).