4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine

C22H48N2O2 — CID 143876376

IUPAC4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine
SMILESCC.CCCCOC1CCN(C)CC1.COCCCC1CCN(C)CC1
InChIInChI=1S/2C10H21NO.C2H6/c1-11-7-5-10(6-8-11)4-3-9-12-2;1-3-4-9-12-10-5-7-11(2)8-6-10;1-2/h2*10H,3-9H2,1-2H3;1-2H3
InChIKeyVGNNYWSWVJNAPR-UHFFFAOYSA-N
MW372.64 g/mol
LogP4.68
Rot. Bonds8

About 4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine

4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine (PubChem CID 143876376) has the molecular formula C22H48N2O2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine
PubChem CID143876376
Molecular FormulaC22H48N2O2
Molecular Weight372.64 g/mol
Exact Mass372.37
IUPAC Name4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine
SMILESCC.CCCCOC1CCN(C)CC1.COCCCC1CCN(C)CC1
InChIInChI=1S/2C10H21NO.C2H6/c1-11-7-5-10(6-8-11)4-3-9-12-2;1-3-4-9-12-10-5-7-11(2)8-6-10;1-2/h2*10H,3-9H2,1-2H3;1-2H3
InChIKeyVGNNYWSWVJNAPR-UHFFFAOYSA-N
XLogP4.68
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine?
The IUPAC name of 4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine (CID 143876376) is 4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine.
What is the SMILES notation for 4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine?
The canonical SMILES for 4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine is CC.CCCCOC1CCN(C)CC1.COCCCC1CCN(C)CC1.
What is the InChIKey of 4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine?
The InChIKey is VGNNYWSWVJNAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H21NO.C2H6/c1-11-7-5-10(6-8-11)4-3-9-12-2;1-3-4-9-12-10-5-7-11(2)8-6-10;1-2/h2*10H,3-9H2,1-2H3;1-2H3.
What are the key properties of 4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine?
4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine has a molecular weight of 372.64 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1-methylpiperidine;ethane;4-(3-methoxypropyl)-1-methylpiperidine is sourced from PubChem (CID 143876376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).