N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride

C10H21ClN2O — CID 174721010

IUPACN-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride
SMILESCC(C)=NOCCC1CCCCN1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-9(2)12-13-8-6-10-5-3-4-7-11-10;/h10-11H,3-8H2,1-2H3;1H
InChIKeyAEMYQTOPTDYQET-UHFFFAOYSA-N
MW220.74 g/mol
LogP2.35
Rot. Bonds4

About N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride

N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride (PubChem CID 174721010) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride
PubChem CID174721010
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC NameN-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride
SMILESCC(C)=NOCCC1CCCCN1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-9(2)12-13-8-6-10-5-3-4-7-11-10;/h10-11H,3-8H2,1-2H3;1H
InChIKeyAEMYQTOPTDYQET-UHFFFAOYSA-N
XLogP2.35
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl(2-piperidin-2-ylethoxy)silane
CID 116530714
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 10797616
(2S)-2-(2-propan-2-yloxyethyl)piperidine
CID 28802472
2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
CID 53487138
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898
ethane;2-piperidin-2-ylethanol
CID 91203064
(2S)-2-(3-methoxypropyl)piperidine
CID 40729361
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628
2-[2-(2-methylcyclohexyl)oxyethyl]piperidine
CID 43149941
2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
CID 106937966
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride?
The IUPAC name of N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride (CID 174721010) is N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride.
What is the SMILES notation for N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride?
The canonical SMILES for N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride is CC(C)=NOCCC1CCCCN1.Cl.
What is the InChIKey of N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride?
The InChIKey is AEMYQTOPTDYQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-9(2)12-13-8-6-10-5-3-4-7-11-10;/h10-11H,3-8H2,1-2H3;1H.
What are the key properties of N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride?
N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-2-ylethoxy)propan-2-imine;hydrochloride is sourced from PubChem (CID 174721010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).