ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine

C18H47N3O — CID 176665440

IUPACethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine
SMILESC1=CCNCC1.C1CCNCC1.C1COCCN1.CC.CC.[H][H].[H][H].[H][H]
InChIInChI=1S/C5H11N.C5H9N.C4H9NO.2C2H6.3H2/c2*1-2-4-6-5-3-1;1-3-6-4-2-5-1;2*1-2;;;/h6H,1-5H2;1-2,6H,3-5H2;5H,1-4H2;2*1-2H3;3*1H
InChIKeyGNIBSGDPRYHJRR-UHFFFAOYSA-N
MW321.59 g/mol
LogP3.69
Rot. Bonds

About ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine

ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine (PubChem CID 176665440) has the molecular formula C18H47N3O and a molecular weight of 321.59 g/mol. Its IUPAC name is ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Nameethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine
PubChem CID176665440
Molecular FormulaC18H47N3O
Molecular Weight321.59 g/mol
Exact Mass321.37
IUPAC Nameethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine
SMILESC1=CCNCC1.C1CCNCC1.C1COCCN1.CC.CC.[H][H].[H][H].[H][H]
InChIInChI=1S/C5H11N.C5H9N.C4H9NO.2C2H6.3H2/c2*1-2-4-6-5-3-1;1-3-6-4-2-5-1;2*1-2;;;/h6H,1-5H2;1-2,6H,3-5H2;5H,1-4H2;2*1-2H3;3*1H
InChIKeyGNIBSGDPRYHJRR-UHFFFAOYSA-N
XLogP3.69
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.59
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Piperidin-4-ylideneethyl)morpholine
CID 115020790
(Z)-4-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)hex-4-en-1-amine
CID 134419180
1-methyl-3,6-dihydro-2H-pyridine;4-methylmorpholine;1-methylpiperidine
CID 143268151
1,4-Dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane
CID 159014195
4-[(2E)-2-piperidin-3-ylideneethyl]morpholine
CID 115020789

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine?
The IUPAC name of ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine (CID 176665440) is ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine.
What is the SMILES notation for ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine?
The canonical SMILES for ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine is C1=CCNCC1.C1CCNCC1.C1COCCN1.CC.CC.[H][H].[H][H].[H][H].
What is the InChIKey of ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine?
The InChIKey is GNIBSGDPRYHJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H9N.C4H9NO.2C2H6.3H2/c2*1-2-4-6-5-3-1;1-3-6-4-2-5-1;2*1-2;;;/h6H,1-5H2;1-2,6H,3-5H2;5H,1-4H2;2*1-2H3;3*1H.
What are the key properties of ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine?
ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine has a molecular weight of 321.59 g/mol, XLogP of 3.69, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 176665440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).