ethane;4-(2-methoxyethoxy)-1-propylpiperidine

C15H35NO2 — CID 156885231

IUPACethane;4-(2-methoxyethoxy)-1-propylpiperidine
SMILESCC.CC.CCCN1CCC(OCCOC)CC1
InChIInChI=1S/C11H23NO2.2C2H6/c1-3-6-12-7-4-11(5-8-12)14-10-9-13-2;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3
InChIKeyUBPHBTCBNCICPU-UHFFFAOYSA-N
MW261.45 g/mol
LogP3.58
Rot. Bonds6

About ethane;4-(2-methoxyethoxy)-1-propylpiperidine

ethane;4-(2-methoxyethoxy)-1-propylpiperidine (PubChem CID 156885231) has the molecular formula C15H35NO2 and a molecular weight of 261.45 g/mol. Its IUPAC name is ethane;4-(2-methoxyethoxy)-1-propylpiperidine.

Molecular Properties

Compound Nameethane;4-(2-methoxyethoxy)-1-propylpiperidine
PubChem CID156885231
Molecular FormulaC15H35NO2
Molecular Weight261.45 g/mol
Exact Mass261.27
IUPAC Nameethane;4-(2-methoxyethoxy)-1-propylpiperidine
SMILESCC.CC.CCCN1CCC(OCCOC)CC1
InChIInChI=1S/C11H23NO2.2C2H6/c1-3-6-12-7-4-11(5-8-12)14-10-9-13-2;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3
InChIKeyUBPHBTCBNCICPU-UHFFFAOYSA-N
XLogP3.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-propoxy-1-propylpiperidine
CID 156867917
4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
CID 156885066
4-(2-bromoethoxy)-1-propylpiperidine
CID 82691689
4-[2-(2-ethoxyethoxy)ethoxy]-1-propylpiperidine
CID 156885045
N-methyl-2-(1-propylpiperidin-4-yl)oxyethanamine
CID 126619941
(3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine
CID 177319162
ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
CID 156885090
3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981635
4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine
CID 106457799
1-methyl-4-[(1-propylpiperidin-4-yl)oxymethyl]piperidine
CID 155750999
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
N-(2-cyclohexyloxyethyl)-1-propylpiperidin-4-amine
CID 63826760

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methoxyethoxy)-1-propylpiperidine?
The IUPAC name of ethane;4-(2-methoxyethoxy)-1-propylpiperidine (CID 156885231) is ethane;4-(2-methoxyethoxy)-1-propylpiperidine.
What is the SMILES notation for ethane;4-(2-methoxyethoxy)-1-propylpiperidine?
The canonical SMILES for ethane;4-(2-methoxyethoxy)-1-propylpiperidine is CC.CC.CCCN1CCC(OCCOC)CC1.
What is the InChIKey of ethane;4-(2-methoxyethoxy)-1-propylpiperidine?
The InChIKey is UBPHBTCBNCICPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.2C2H6/c1-3-6-12-7-4-11(5-8-12)14-10-9-13-2;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-(2-methoxyethoxy)-1-propylpiperidine?
ethane;4-(2-methoxyethoxy)-1-propylpiperidine has a molecular weight of 261.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methoxyethoxy)-1-propylpiperidine is sourced from PubChem (CID 156885231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).