3-methoxy-1-propylpiperidine

C9H19NO — CID 58528672

IUPAC3-methoxy-1-propylpiperidine
SMILESCCCN1CCCC(OC)C1
InChIInChI=1S/C9H19NO/c1-3-6-10-7-4-5-9(8-10)11-2/h9H,3-8H2,1-2H3
InChIKeyACHHARAPWVYZNZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds3

About 3-methoxy-1-propylpiperidine

3-methoxy-1-propylpiperidine (PubChem CID 58528672) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methoxy-1-propylpiperidine.

Molecular Properties

Compound Name3-methoxy-1-propylpiperidine
PubChem CID58528672
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methoxy-1-propylpiperidine
SMILESCCCN1CCCC(OC)C1
InChIInChI=1S/C9H19NO/c1-3-6-10-7-4-5-9(8-10)11-2/h9H,3-8H2,1-2H3
InChIKeyACHHARAPWVYZNZ-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3095445
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CID 144418
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CID 15105446
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CID 54593652
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CID 66882659
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CID 51655502
CID 51655502
CID 191381
CID 191381

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-propylpiperidine?
The IUPAC name of 3-methoxy-1-propylpiperidine (CID 58528672) is 3-methoxy-1-propylpiperidine.
What is the SMILES notation for 3-methoxy-1-propylpiperidine?
The canonical SMILES for 3-methoxy-1-propylpiperidine is CCCN1CCCC(OC)C1.
What is the InChIKey of 3-methoxy-1-propylpiperidine?
The InChIKey is ACHHARAPWVYZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-6-10-7-4-5-9(8-10)11-2/h9H,3-8H2,1-2H3.
What are the key properties of 3-methoxy-1-propylpiperidine?
3-methoxy-1-propylpiperidine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-propylpiperidine is sourced from PubChem (CID 58528672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).