ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde

C16H36N2O2 — CID 142506557

IUPACethane;4-morpholin-4-ylpiperidine-1-carbaldehyde
SMILESCC.CC.CC.O=CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C10H18N2O2.3C2H6/c13-9-11-3-1-10(2-4-11)12-5-7-14-8-6-12;3*1-2/h9-10H,1-8H2;3*1-2H3
InChIKeyDNDHFRJLRGDVJA-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.02
Rot. Bonds2

About ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde

ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde (PubChem CID 142506557) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Nameethane;4-morpholin-4-ylpiperidine-1-carbaldehyde
PubChem CID142506557
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Nameethane;4-morpholin-4-ylpiperidine-1-carbaldehyde
SMILESCC.CC.CC.O=CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C10H18N2O2.3C2H6/c13-9-11-3-1-10(2-4-11)12-5-7-14-8-6-12;3*1-2/h9-10H,1-8H2;3*1-2H3
InChIKeyDNDHFRJLRGDVJA-UHFFFAOYSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropylmorpholine;ethane
CID 155594914
4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 138683529
1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde
CID 86143378
4-(oxan-4-yl)piperidine-1-carbaldehyde
CID 143294337
4-(1-sulfanylpiperidin-4-yl)morpholine
CID 123604747
4-(1-methoxypiperidin-4-yl)morpholine
CID 59857802
formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine
CID 169177347
1-cyclopropyl-4-methylpiperazine;ethane;4-methylmorpholine
CID 142483010
3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde
CID 156595075
(3S)-3-pyrrolidin-1-ylpyrrolidine-1-carbaldehyde
CID 87225922
1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 58356036
4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid
CID 17369368

Frequently Asked Questions

What is the IUPAC name of ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde?
The IUPAC name of ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde (CID 142506557) is ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde.
What is the SMILES notation for ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde?
The canonical SMILES for ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde is CC.CC.CC.O=CN1CCC(N2CCOCC2)CC1.
What is the InChIKey of ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde?
The InChIKey is DNDHFRJLRGDVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.3C2H6/c13-9-11-3-1-10(2-4-11)12-5-7-14-8-6-12;3*1-2/h9-10H,1-8H2;3*1-2H3.
What are the key properties of ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde?
ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde has a molecular weight of 288.48 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde is sourced from PubChem (CID 142506557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).