ethane;4-propoxy-1-propylpiperidine

C15H35NO — CID 156867917

IUPACethane;4-propoxy-1-propylpiperidine
SMILESCC.CC.CCCOC1CCN(CCC)CC1
InChIInChI=1S/C11H23NO.2C2H6/c1-3-7-12-8-5-11(6-9-12)13-10-4-2;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3
InChIKeyPFZISSGBXNDBFK-UHFFFAOYSA-N
MW245.45 g/mol
LogP4.34
Rot. Bonds5

About ethane;4-propoxy-1-propylpiperidine

ethane;4-propoxy-1-propylpiperidine (PubChem CID 156867917) has the molecular formula C15H35NO and a molecular weight of 245.45 g/mol. Its IUPAC name is ethane;4-propoxy-1-propylpiperidine.

Molecular Properties

Compound Nameethane;4-propoxy-1-propylpiperidine
PubChem CID156867917
Molecular FormulaC15H35NO
Molecular Weight245.45 g/mol
Exact Mass245.27
IUPAC Nameethane;4-propoxy-1-propylpiperidine
SMILESCC.CC.CCCOC1CCN(CCC)CC1
InChIInChI=1S/C11H23NO.2C2H6/c1-3-7-12-8-5-11(6-9-12)13-10-4-2;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3
InChIKeyPFZISSGBXNDBFK-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromoethoxy)-1-propylpiperidine
CID 82691689
ethane;4-(2-methoxyethoxy)-1-propylpiperidine
CID 156885231
4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
CID 156885066
4-[2-(2-ethoxyethoxy)ethoxy]-1-propylpiperidine
CID 156885045
N-methyl-2-(1-propylpiperidin-4-yl)oxyethanamine
CID 126619941
4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine
CID 106457799
ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
CID 156885090
1-methyl-4-[(1-propylpiperidin-4-yl)oxymethyl]piperidine
CID 155750999
N-(2-cyclohexyloxyethyl)-1-propylpiperidin-4-amine
CID 63826760
4-butoxy-1-methylpiperidine;ethane
CID 143443948
1-(2-bromoethyl)-4-ethoxypiperidine
CID 61288374
2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine
CID 134580010

Frequently Asked Questions

What is the IUPAC name of ethane;4-propoxy-1-propylpiperidine?
The IUPAC name of ethane;4-propoxy-1-propylpiperidine (CID 156867917) is ethane;4-propoxy-1-propylpiperidine.
What is the SMILES notation for ethane;4-propoxy-1-propylpiperidine?
The canonical SMILES for ethane;4-propoxy-1-propylpiperidine is CC.CC.CCCOC1CCN(CCC)CC1.
What is the InChIKey of ethane;4-propoxy-1-propylpiperidine?
The InChIKey is PFZISSGBXNDBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.2C2H6/c1-3-7-12-8-5-11(6-9-12)13-10-4-2;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-propoxy-1-propylpiperidine?
ethane;4-propoxy-1-propylpiperidine has a molecular weight of 245.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propoxy-1-propylpiperidine is sourced from PubChem (CID 156867917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).