1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)

C49H107N5 — CID 160949305

IUPAC1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)
SMILESC.CC1CCCCC1.CC1CCN(C)CC1.CCC.CCCN1CCCCC1.CCCN1CCCCC1.CCCN1CCCCCC1.CN1CCCCC1
InChIInChI=1S/C9H19N.2C8H17N.C7H15N.C7H14.C6H13N.C3H8.CH4/c1-2-7-10-8-5-3-4-6-9-10;2*1-2-6-9-7-4-3-5-8-9;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-3-2;/h2-9H2,1H3;2*2-8H2,1H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;2-6H2,1H3;3H2,1-2H3;1H4
InChIKeySVNSARCDQHEWMD-UHFFFAOYSA-N
MW766.43 g/mol
LogP13.13
Rot. Bonds6

About 1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)

1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine) (PubChem CID 160949305) has the molecular formula C49H107N5 and a molecular weight of 766.43 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine).

Molecular Properties

Compound Name1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)
PubChem CID160949305
Molecular FormulaC49H107N5
Molecular Weight766.43 g/mol
Exact Mass765.85
IUPAC Name1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)
SMILESC.CC1CCCCC1.CC1CCN(C)CC1.CCC.CCCN1CCCCC1.CCCN1CCCCC1.CCCN1CCCCCC1.CN1CCCCC1
InChIInChI=1S/C9H19N.2C8H17N.C7H15N.C7H14.C6H13N.C3H8.CH4/c1-2-7-10-8-5-3-4-6-9-10;2*1-2-6-9-7-4-3-5-8-9;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-3-2;/h2-9H2,1H3;2*2-8H2,1H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;2-6H2,1H3;3H2,1-2H3;1H4
InChIKeySVNSARCDQHEWMD-UHFFFAOYSA-N
XLogP13.13
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.43
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)?
The IUPAC name of 1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine) (CID 160949305) is 1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine).
What is the SMILES notation for 1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)?
The canonical SMILES for 1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine) is C.CC1CCCCC1.CC1CCN(C)CC1.CCC.CCCN1CCCCC1.CCCN1CCCCC1.CCCN1CCCCCC1.CN1CCCCC1.
What is the InChIKey of 1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)?
The InChIKey is SVNSARCDQHEWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.2C8H17N.C7H15N.C7H14.C6H13N.C3H8.CH4/c1-2-7-10-8-5-3-4-6-9-10;2*1-2-6-9-7-4-3-5-8-9;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-3-2;/h2-9H2,1H3;2*2-8H2,1H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;2-6H2,1H3;3H2,1-2H3;1H4.
What are the key properties of 1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)?
1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine) has a molecular weight of 766.43 g/mol, XLogP of 13.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine) is sourced from PubChem (CID 160949305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).