2-piperidin-4-yloxyethyl acetate;hydrochloride

C9H18ClNO3 — CID 172841585

IUPAC2-piperidin-4-yloxyethyl acetate;hydrochloride
SMILESCC(=O)OCCOC1CCNCC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-8(11)12-6-7-13-9-2-4-10-5-3-9;/h9-10H,2-7H2,1H3;1H
InChIKeyWWCLJFPJHPFUAF-UHFFFAOYSA-N
MW223.70 g/mol
LogP0.74
Rot. Bonds4

About 2-piperidin-4-yloxyethyl acetate;hydrochloride

2-piperidin-4-yloxyethyl acetate;hydrochloride (PubChem CID 172841585) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-piperidin-4-yloxyethyl acetate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yloxyethyl acetate;hydrochloride
PubChem CID172841585
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Name2-piperidin-4-yloxyethyl acetate;hydrochloride
SMILESCC(=O)OCCOC1CCNCC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-8(11)12-6-7-13-9-2-4-10-5-3-9;/h9-10H,2-7H2,1H3;1H
InChIKeyWWCLJFPJHPFUAF-UHFFFAOYSA-N
XLogP0.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.74
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

2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]piperidine;hydrochloride
CID 118540846
2-methylpropyl 3-piperidin-4-yloxypropanoate
CID 63869912
ethyl acetate;piperidin-4-ol;hydrochloride
CID 174311482
propyl 2-piperidin-4-yloxyacetate
CID 63871576
ethane;piperidin-4-yl acetate
CID 144574283
2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate
CID 103178763
2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate
CID 112588078
ethyl 2-(2-piperidin-4-yloxyethylamino)acetate
CID 176582615
2-methylpropyl N-(2-piperidin-4-yloxyethyl)carbamate
CID 63871589
2-methoxy-N-(3-piperidin-4-yloxypropyl)acetamide
CID 63871786
1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one
CID 116572370

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yloxyethyl acetate;hydrochloride?
The IUPAC name of 2-piperidin-4-yloxyethyl acetate;hydrochloride (CID 172841585) is 2-piperidin-4-yloxyethyl acetate;hydrochloride.
What is the SMILES notation for 2-piperidin-4-yloxyethyl acetate;hydrochloride?
The canonical SMILES for 2-piperidin-4-yloxyethyl acetate;hydrochloride is CC(=O)OCCOC1CCNCC1.Cl.
What is the InChIKey of 2-piperidin-4-yloxyethyl acetate;hydrochloride?
The InChIKey is WWCLJFPJHPFUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-8(11)12-6-7-13-9-2-4-10-5-3-9;/h9-10H,2-7H2,1H3;1H.
What are the key properties of 2-piperidin-4-yloxyethyl acetate;hydrochloride?
2-piperidin-4-yloxyethyl acetate;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yloxyethyl acetate;hydrochloride is sourced from PubChem (CID 172841585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).