1-(2-methylpropoxymethyl)piperidine

C10H21NO — CID 12632864

IUPAC1-(2-methylpropoxymethyl)piperidine
SMILESCC(C)COCN1CCCCC1
InChIInChI=1S/C10H21NO/c1-10(2)8-12-9-11-6-4-3-5-7-11/h10H,3-9H2,1-2H3
InChIKeyFAWDJMNIIMXVBH-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds4

About 1-(2-methylpropoxymethyl)piperidine

1-(2-methylpropoxymethyl)piperidine (PubChem CID 12632864) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(2-methylpropoxymethyl)piperidine.

Molecular Properties

Compound Name1-(2-methylpropoxymethyl)piperidine
PubChem CID12632864
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(2-methylpropoxymethyl)piperidine
SMILESCC(C)COCN1CCCCC1
InChIInChI=1S/C10H21NO/c1-10(2)8-12-9-11-6-4-3-5-7-11/h10H,3-9H2,1-2H3
InChIKeyFAWDJMNIIMXVBH-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxymethyl)piperidine?
The IUPAC name of 1-(2-methylpropoxymethyl)piperidine (CID 12632864) is 1-(2-methylpropoxymethyl)piperidine.
What is the SMILES notation for 1-(2-methylpropoxymethyl)piperidine?
The canonical SMILES for 1-(2-methylpropoxymethyl)piperidine is CC(C)COCN1CCCCC1.
What is the InChIKey of 1-(2-methylpropoxymethyl)piperidine?
The InChIKey is FAWDJMNIIMXVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2)8-12-9-11-6-4-3-5-7-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2-methylpropoxymethyl)piperidine?
1-(2-methylpropoxymethyl)piperidine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxymethyl)piperidine is sourced from PubChem (CID 12632864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).