ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine

C21H52N2 — CID 159499726

IUPACethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
SMILESC.CC.CC.CC.CC.CN1CC=CCC1.CN1CCCCC1
InChIInChI=1S/C6H13N.C6H11N.4C2H6.CH4/c2*1-7-5-3-2-4-6-7;4*1-2;/h2-6H2,1H3;2-3H,4-6H2,1H3;4*1-2H3;1H4
InChIKeyLZFPAAOGTNHACU-UHFFFAOYSA-N
MW332.66 g/mol
LogP6.72
Rot. Bonds

About ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine

ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine (PubChem CID 159499726) has the molecular formula C21H52N2 and a molecular weight of 332.66 g/mol. Its IUPAC name is ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine.

Molecular Properties

Compound Nameethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
PubChem CID159499726
Molecular FormulaC21H52N2
Molecular Weight332.66 g/mol
Exact Mass332.41
IUPAC Nameethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
SMILESC.CC.CC.CC.CC.CN1CC=CCC1.CN1CCCCC1
InChIInChI=1S/C6H13N.C6H11N.4C2H6.CH4/c2*1-7-5-3-2-4-6-7;4*1-2;/h2-6H2,1H3;2-3H,4-6H2,1H3;4*1-2H3;1H4
InChIKeyLZFPAAOGTNHACU-UHFFFAOYSA-N
XLogP6.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.66
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446865
Piperidine, 1-(2,7-octadienyl)-
CID 4248884
3,3-difluoro-1-methylpiperidine;ethane;5-fluoro-1-methyl-3,6-dihydro-2H-pyridine;1-methyl-3,6-dihydro-2H-pyridine
CID 170601409
1-[(E)-hex-3-enyl]piperidine
CID 13115116
1-[(E)-oct-3-enyl]piperidine
CID 13115118
1-[(2e)-Hept-2-en-1-yl]piperidine
CID 87507901
1-[(2z)-Hept-2-en-1-yl]piperidine
CID 129746064
N-allyl-N-(2,7-dimethylocta-2,7-dien-1-yl)piperidinium bromide
CID 172432411
1-N,1-N,4-N,4-N-tetra(propan-2-yl)cyclohex-2-ene-1,4-diamine
CID 258790
1-[(E)-hept-3-enyl]piperidine
CID 13115117
1-[(E)-hex-2-enyl]piperidine
CID 12823416
1-[(2E)-2,5-hexadienyl]piperidine
CID 12927748

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?
The IUPAC name of ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine (CID 159499726) is ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine.
What is the SMILES notation for ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?
The canonical SMILES for ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine is C.CC.CC.CC.CC.CN1CC=CCC1.CN1CCCCC1.
What is the InChIKey of ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?
The InChIKey is LZFPAAOGTNHACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H11N.4C2H6.CH4/c2*1-7-5-3-2-4-6-7;4*1-2;/h2-6H2,1H3;2-3H,4-6H2,1H3;4*1-2H3;1H4.
What are the key properties of ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?
ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine has a molecular weight of 332.66 g/mol, XLogP of 6.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine is sourced from PubChem (CID 159499726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).