4-(1-methoxybutyl)piperidine

C10H21NO — CID 142109065

IUPAC4-(1-methoxybutyl)piperidine
SMILESCCCC(OC)C1CCNCC1
InChIInChI=1S/C10H21NO/c1-3-4-10(12-2)9-5-7-11-8-6-9/h9-11H,3-8H2,1-2H3
InChIKeyNFSGURIFGHTPIM-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About 4-(1-methoxybutyl)piperidine

4-(1-methoxybutyl)piperidine (PubChem CID 142109065) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-(1-methoxybutyl)piperidine.

Molecular Properties

Compound Name4-(1-methoxybutyl)piperidine
PubChem CID142109065
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-(1-methoxybutyl)piperidine
SMILESCCCC(OC)C1CCNCC1
InChIInChI=1S/C10H21NO/c1-3-4-10(12-2)9-5-7-11-8-6-9/h9-11H,3-8H2,1-2H3
InChIKeyNFSGURIFGHTPIM-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxybutyl)piperidine?
The IUPAC name of 4-(1-methoxybutyl)piperidine (CID 142109065) is 4-(1-methoxybutyl)piperidine.
What is the SMILES notation for 4-(1-methoxybutyl)piperidine?
The canonical SMILES for 4-(1-methoxybutyl)piperidine is CCCC(OC)C1CCNCC1.
What is the InChIKey of 4-(1-methoxybutyl)piperidine?
The InChIKey is NFSGURIFGHTPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-10(12-2)9-5-7-11-8-6-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(1-methoxybutyl)piperidine?
4-(1-methoxybutyl)piperidine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxybutyl)piperidine is sourced from PubChem (CID 142109065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).