3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine

C11H22ClNO — CID 14209247

IUPAC3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine
SMILESCC(C)COCC1C(Cl)CCCN1C
InChIInChI=1S/C11H22ClNO/c1-9(2)7-14-8-11-10(12)5-4-6-13(11)3/h9-11H,4-8H2,1-3H3
InChIKeyLCPWDTUXHMIQKL-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.36
Rot. Bonds4

About 3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine

3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine (PubChem CID 14209247) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine.

Molecular Properties

Compound Name3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine
PubChem CID14209247
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine
SMILESCC(C)COCC1C(Cl)CCCN1C
InChIInChI=1S/C11H22ClNO/c1-9(2)7-14-8-11-10(12)5-4-6-13(11)3/h9-11H,4-8H2,1-3H3
InChIKeyLCPWDTUXHMIQKL-UHFFFAOYSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine?
The IUPAC name of 3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine (CID 14209247) is 3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine.
What is the SMILES notation for 3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine?
The canonical SMILES for 3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine is CC(C)COCC1C(Cl)CCCN1C.
What is the InChIKey of 3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine?
The InChIKey is LCPWDTUXHMIQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-9(2)7-14-8-11-10(12)5-4-6-13(11)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine?
3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine has a molecular weight of 219.76 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine is sourced from PubChem (CID 14209247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).