4-methoxy-4-propan-2-ylpiperidine;hydrochloride

C9H20ClNO — CID 68569417

IUPAC4-methoxy-4-propan-2-ylpiperidine;hydrochloride
SMILESCOC1(C(C)C)CCNCC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-8(2)9(11-3)4-6-10-7-5-9;/h8,10H,4-7H2,1-3H3;1H
InChIKeyBNOMEMDZNDQRPY-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.83
Rot. Bonds2

About 4-methoxy-4-propan-2-ylpiperidine;hydrochloride

4-methoxy-4-propan-2-ylpiperidine;hydrochloride (PubChem CID 68569417) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 4-methoxy-4-propan-2-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-methoxy-4-propan-2-ylpiperidine;hydrochloride
PubChem CID68569417
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name4-methoxy-4-propan-2-ylpiperidine;hydrochloride
SMILESCOC1(C(C)C)CCNCC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-8(2)9(11-3)4-6-10-7-5-9;/h8,10H,4-7H2,1-3H3;1H
InChIKeyBNOMEMDZNDQRPY-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxypiperidin-4-amine
CID 105427555
4,4-dimethoxypiperidine
CID 557469
4-methoxy-4-(3-methylbutyl)piperidine
CID 105441855
ethane;4-methyl-4-propan-2-ylazepane
CID 164876609
aziridine;1,1-dibromoethane
CID 175898882
3-methoxy-1-methyl-3-propan-2-ylpyrrolidine
CID 163257812
N-[(4-methoxypiperidin-4-yl)methyl]-N-methylpropan-2-amine
CID 153356841
(3R)-3-fluoro-3-propan-2-ylpyrrolidine
CID 129375315
4,4-difluoropiperidine;methane
CID 143607085
3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride
CID 159412797
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119718677
(4-methoxypiperidin-4-yl)methanamine
CID 84648969

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-propan-2-ylpiperidine;hydrochloride?
The IUPAC name of 4-methoxy-4-propan-2-ylpiperidine;hydrochloride (CID 68569417) is 4-methoxy-4-propan-2-ylpiperidine;hydrochloride.
What is the SMILES notation for 4-methoxy-4-propan-2-ylpiperidine;hydrochloride?
The canonical SMILES for 4-methoxy-4-propan-2-ylpiperidine;hydrochloride is COC1(C(C)C)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-4-propan-2-ylpiperidine;hydrochloride?
The InChIKey is BNOMEMDZNDQRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-8(2)9(11-3)4-6-10-7-5-9;/h8,10H,4-7H2,1-3H3;1H.
What are the key properties of 4-methoxy-4-propan-2-ylpiperidine;hydrochloride?
4-methoxy-4-propan-2-ylpiperidine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-propan-2-ylpiperidine;hydrochloride is sourced from PubChem (CID 68569417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).