methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride

C11H22ClNO3 — CID 56830628

IUPACmethyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
SMILESCOC(=O)CCOCCC1CCCCN1.Cl
InChIInChI=1S/C11H21NO3.ClH/c1-14-11(13)6-9-15-8-5-10-4-2-3-7-12-10;/h10,12H,2-9H2,1H3;1H
InChIKeyBZNCZVNAXCPGCV-UHFFFAOYSA-N
MW251.75 g/mol
LogP1.52
Rot. Bonds6

About methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride

methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride (PubChem CID 56830628) has the molecular formula C11H22ClNO3 and a molecular weight of 251.75 g/mol. Its IUPAC name is methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
PubChem CID56830628
Molecular FormulaC11H22ClNO3
Molecular Weight251.75 g/mol
Exact Mass251.13
IUPAC Namemethyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
SMILESCOC(=O)CCOCCC1CCCCN1.Cl
InChIInChI=1S/C11H21NO3.ClH/c1-14-11(13)6-9-15-8-5-10-4-2-3-7-12-10;/h10,12H,2-9H2,1H3;1H
InChIKeyBZNCZVNAXCPGCV-UHFFFAOYSA-N
XLogP1.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.75
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-piperidin-2-ylbutanoate;hydrochloride
CID 66772062
N,N-dimethyl-4-(2-piperidin-2-ylethoxy)butanamide
CID 55065440
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898
methyl 3-(2-cyclobutylethoxy)propanoate
CID 106199365
methyl 2-(azocan-2-yl)acetate
CID 86040521
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
tert-butyl 2-(2-piperidin-2-ylethoxy)acetate
CID 71057140
methyl 3-(2-cyclopropylethoxy)propanoate
CID 106199265
2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
CID 106937966
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
2-(2-octadecoxyethyl)piperidine
CID 140997929

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride?
The IUPAC name of methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride (CID 56830628) is methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride is COC(=O)CCOCCC1CCCCN1.Cl.
What is the InChIKey of methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride?
The InChIKey is BZNCZVNAXCPGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.ClH/c1-14-11(13)6-9-15-8-5-10-4-2-3-7-12-10;/h10,12H,2-9H2,1H3;1H.
What are the key properties of methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride?
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride has a molecular weight of 251.75 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride is sourced from PubChem (CID 56830628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).