methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine

C19H40N2 — CID 177223919

IUPACmethane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine
SMILESC.C.C=CCCCC1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C17H32N2.2CH4/c1-3-4-5-6-16-9-13-19(14-10-16)15-17-7-11-18(2)12-8-17;;/h3,16-17H,1,4-15H2,2H3;2*1H4
InChIKeyPFTZGAKJMVJJDK-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.67
Rot. Bonds6

About methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine

methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine (PubChem CID 177223919) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Namemethane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine
PubChem CID177223919
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Namemethane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine
SMILESC.C.C=CCCCC1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C17H32N2.2CH4/c1-3-4-5-6-16-9-13-19(14-10-16)15-17-7-11-18(2)12-8-17;;/h3,16-17H,1,4-15H2,2H3;2*1H4
InChIKeyPFTZGAKJMVJJDK-UHFFFAOYSA-N
XLogP4.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine (CID 177223919) is methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine is C.C.C=CCCCC1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine?
The InChIKey is PFTZGAKJMVJJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2.2CH4/c1-3-4-5-6-16-9-13-19(14-10-16)15-17-7-11-18(2)12-8-17;;/h3,16-17H,1,4-15H2,2H3;2*1H4.
What are the key properties of methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine?
methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine has a molecular weight of 296.54 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 177223919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).