(3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine

C25H42N2 — CID 155485196

IUPAC(3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine
SMILESC=C(C)CC1(C)CCN(CCCCC/C(C)=C/C=C2/CCCNC2=C)CC1
InChIInChI=1S/C25H42N2/c1-21(2)20-25(5)14-18-27(19-15-25)17-8-6-7-10-22(3)12-13-24-11-9-16-26-23(24)4/h12-13,26H,1,4,6-11,14-20H2,2-3,5H3/b22-12+,24-13-
InChIKeyYNYRPYASYSDCDU-UKODSXPPSA-N
MW370.63 g/mol
LogP6.38
Rot. Bonds9

About (3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine

(3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine (PubChem CID 155485196) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is (3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine.

Molecular Properties

Compound Name(3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine
PubChem CID155485196
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC Name(3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine
SMILESC=C(C)CC1(C)CCN(CCCCC/C(C)=C/C=C2/CCCNC2=C)CC1
InChIInChI=1S/C25H42N2/c1-21(2)20-25(5)14-18-27(19-15-25)17-8-6-7-10-22(3)12-13-24-11-9-16-26-23(24)4/h12-13,26H,1,4,6-11,14-20H2,2-3,5H3/b22-12+,24-13-
InChIKeyYNYRPYASYSDCDU-UKODSXPPSA-N
XLogP6.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 56.38
H-Bond Donors ≤ 51
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 (3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine?
The IUPAC name of (3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine (CID 155485196) is (3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine.
What is the SMILES notation for (3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine?
The canonical SMILES for (3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine is C=C(C)CC1(C)CCN(CCCCC/C(C)=C/C=C2/CCCNC2=C)CC1.
What is the InChIKey of (3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine?
The InChIKey is YNYRPYASYSDCDU-UKODSXPPSA-N. The full InChI is InChI=1S/C25H42N2/c1-21(2)20-25(5)14-18-27(19-15-25)17-8-6-7-10-22(3)12-13-24-11-9-16-26-23(24)4/h12-13,26H,1,4,6-11,14-20H2,2-3,5H3/b22-12+,24-13-.
What are the key properties of (3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine?
(3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine has a molecular weight of 370.63 g/mol, XLogP of 6.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methylidene-3-[(E)-3-methyl-8-[4-methyl-4-(2-methylprop-2-enyl)piperidin-1-yl]oct-2-enylidene]piperidine is sourced from PubChem (CID 155485196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).