2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine

C44H80N4O3 — CID 144884076

IUPAC2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine
SMILESCC.CC.CC.COC(C1CCCCC1)C1CCCCN1.COC(c1ccccc1)C1CCCCN1.COC(c1ccccn1)C1CCCCN1
InChIInChI=1S/C13H25NO.C13H19NO.C12H18N2O.3C2H6/c2*1-15-13(11-7-3-2-4-8-11)12-9-5-6-10-14-12;1-15-12(10-6-2-4-8-13-10)11-7-3-5-9-14-11;3*1-2/h11-14H,2-10H2,1H3;2-4,7-8,12-14H,5-6,9-10H2,1H3;2,4,6,8,11-12,14H,3,5,7,9H2,1H3;3*1-2H3
InChIKeyPQDDERWURNGFMH-UHFFFAOYSA-N
MW713.15 g/mol
LogP10.23
Rot. Bonds9

About 2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine

2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine (PubChem CID 144884076) has the molecular formula C44H80N4O3 and a molecular weight of 713.15 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine
PubChem CID144884076
Molecular FormulaC44H80N4O3
Molecular Weight713.15 g/mol
Exact Mass712.62
IUPAC Name2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine
SMILESCC.CC.CC.COC(C1CCCCC1)C1CCCCN1.COC(c1ccccc1)C1CCCCN1.COC(c1ccccn1)C1CCCCN1
InChIInChI=1S/C13H25NO.C13H19NO.C12H18N2O.3C2H6/c2*1-15-13(11-7-3-2-4-8-11)12-9-5-6-10-14-12;1-15-12(10-6-2-4-8-13-10)11-7-3-5-9-14-11;3*1-2/h11-14H,2-10H2,1H3;2-4,7-8,12-14H,5-6,9-10H2,1H3;2,4,6,8,11-12,14H,3,5,7,9H2,1H3;3*1-2H3
InChIKeyPQDDERWURNGFMH-UHFFFAOYSA-N
XLogP10.23
TPSA76.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.15
LogP ≤ 510.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine with MolForge

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Related Compounds

tert-butyl-dimethyl-[pyridin-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]silane
CID 132596656
2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride
CID 118342696
[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride
CID 71573118
2-[cyclohexyl(propan-2-yloxy)methyl]pyridine;2-[phenyl(propan-2-yloxy)methyl]pyridine;propane;2-[propan-2-yloxy(pyridin-2-yl)methyl]pyridine
CID 160882666
(1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol
CID 125488579
2-[(1S)-1-cyclohexylethyl]pyridine
CID 130409266
[phenyl(pyrrolidin-2-yl)methyl] formate
CID 174954003
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
(1R)-1-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 81389751
methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
CID 67605642
ethane;2-(1-phenylethyl)pyridine
CID 143899083
1-cyclooctyl-2-pyridin-2-ylpropan-1-amine
CID 66448173

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine (CID 144884076) is 2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine is CC.CC.CC.COC(C1CCCCC1)C1CCCCN1.COC(c1ccccc1)C1CCCCN1.COC(c1ccccn1)C1CCCCN1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine?
The InChIKey is PQDDERWURNGFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C13H19NO.C12H18N2O.3C2H6/c2*1-15-13(11-7-3-2-4-8-11)12-9-5-6-10-14-12;1-15-12(10-6-2-4-8-13-10)11-7-3-5-9-14-11;3*1-2/h11-14H,2-10H2,1H3;2-4,7-8,12-14H,5-6,9-10H2,1H3;2,4,6,8,11-12,14H,3,5,7,9H2,1H3;3*1-2H3.
What are the key properties of 2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine?
2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine has a molecular weight of 713.15 g/mol, XLogP of 10.23, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine is sourced from PubChem (CID 144884076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).