1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane

C17H35NO — CID 143571318

IUPAC1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane
SMILESCC.CCOCC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C15H29NO.C2H6/c1-2-17-13-15-9-6-10-16(12-15)11-14-7-4-3-5-8-14;1-2/h14-15H,2-13H2,1H3;1-2H3
InChIKeyMWDJNMUIPHYIIB-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.34
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane

1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane (PubChem CID 143571318) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane
PubChem CID143571318
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane
SMILESCC.CCOCC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C15H29NO.C2H6/c1-2-17-13-15-9-6-10-16(12-15)11-14-7-4-3-5-8-14;1-2/h14-15H,2-13H2,1H3;1-2H3
InChIKeyMWDJNMUIPHYIIB-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-Fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine
CID 171598511
1-[5-(Cyclohexylmethoxy)pentyl]piperidine
CID 54463999
Cyclohexylmethyl-ethyl-(5-methoxypentyl)-methylazanium
CID 57932037
(3S)-3-(ethoxymethyl)-1-methylpiperidine
CID 58134270
(3R)-3-(ethoxymethyl)-1-methylpiperidine
CID 58134307
3-(Ethoxymethyl)-1-methylpiperidine
CID 58270936
(3R)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine
CID 66580533
(3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine
CID 66580755
3-Methyl-1-[2-(oxan-4-yl)ethyl]piperidine
CID 66580968
N-(cyclohexylmethyl)-N-methyloxan-2-amine
CID 69591928
1-(Cyclohexylmethyl)-3-(ethoxymethyl)piperidine
CID 71159866
(3R)-1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine
CID 71159867

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane?
The IUPAC name of 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane (CID 143571318) is 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane is CC.CCOCC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane?
The InChIKey is MWDJNMUIPHYIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO.C2H6/c1-2-17-13-15-9-6-10-16(12-15)11-14-7-4-3-5-8-14;1-2/h14-15H,2-13H2,1H3;1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane?
1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane has a molecular weight of 269.47 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 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane is sourced from PubChem (CID 143571318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).