1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine

C26H54N2O2 — CID 168890464

IUPAC1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine
SMILESCC1CCC(O)CC1.CC1CCCNC1.CC1CCN(C)CC1.CC1CCOCC1
InChIInChI=1S/C7H15N.C7H14O.C6H13N.C6H12O/c1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7-5-6;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3
InChIKeyMFOPXYRJQUVZDZ-UHFFFAOYSA-N
MW426.73 g/mol
LogP5.34
Rot. Bonds

About 1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine

1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine (PubChem CID 168890464) has the molecular formula C26H54N2O2 and a molecular weight of 426.73 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine
PubChem CID168890464
Molecular FormulaC26H54N2O2
Molecular Weight426.73 g/mol
Exact Mass426.42
IUPAC Name1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine
SMILESCC1CCC(O)CC1.CC1CCCNC1.CC1CCN(C)CC1.CC1CCOCC1
InChIInChI=1S/C7H15N.C7H14O.C6H13N.C6H12O/c1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7-5-6;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3
InChIKeyMFOPXYRJQUVZDZ-UHFFFAOYSA-N
XLogP5.34
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.73
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine?
The IUPAC name of 1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine (CID 168890464) is 1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine?
The canonical SMILES for 1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine is CC1CCC(O)CC1.CC1CCCNC1.CC1CCN(C)CC1.CC1CCOCC1.
What is the InChIKey of 1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine?
The InChIKey is MFOPXYRJQUVZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C7H14O.C6H13N.C6H12O/c1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7-5-6;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3.
What are the key properties of 1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine?
1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine has a molecular weight of 426.73 g/mol, XLogP of 5.34, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine is sourced from PubChem (CID 168890464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).