1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine

C14H21N — CID 89154169

IUPAC1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine
SMILESC=C(C)/C=C\C(=C/C)N1CCCCC1=C
InChIInChI=1S/C14H21N/c1-5-14(10-9-12(2)3)15-11-7-6-8-13(15)4/h5,9-10H,2,4,6-8,11H2,1,3H3/b10-9-,14-5-
InChIKeyXPZSLQJICXIVDU-GGKIZDKJSA-N
MW203.33 g/mol
LogP4.02
Rot. Bonds3

About 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine

1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine (PubChem CID 89154169) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine.

Molecular Properties

Compound Name1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine
PubChem CID89154169
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine
SMILESC=C(C)/C=C\C(=C/C)N1CCCCC1=C
InChIInChI=1S/C14H21N/c1-5-14(10-9-12(2)3)15-11-7-6-8-13(15)4/h5,9-10H,2,4,6-8,11H2,1,3H3/b10-9-,14-5-
InChIKeyXPZSLQJICXIVDU-GGKIZDKJSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine?
The IUPAC name of 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine (CID 89154169) is 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine.
What is the SMILES notation for 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine?
The canonical SMILES for 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine is C=C(C)/C=C\C(=C/C)N1CCCCC1=C.
What is the InChIKey of 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine?
The InChIKey is XPZSLQJICXIVDU-GGKIZDKJSA-N. The full InChI is InChI=1S/C14H21N/c1-5-14(10-9-12(2)3)15-11-7-6-8-13(15)4/h5,9-10H,2,4,6-8,11H2,1,3H3/b10-9-,14-5-.
What are the key properties of 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine?
1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine has a molecular weight of 203.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-2-methylidenepiperidine is sourced from PubChem (CID 89154169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).