1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine

C16H28N2 — CID 89357865

IUPAC1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine
SMILESC/C=C\C=C(/CC)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C16H28N2/c1-3-5-8-15(4-2)18-13-9-16(10-14-18)17-11-6-7-12-17/h3,5,8,16H,4,6-7,9-14H2,1-2H3/b5-3-,15-8+
InChIKeyTVRQXSJGVFJLKU-KSLVXVIKSA-N
MW248.41 g/mol
LogP3.42
Rot. Bonds4

About 1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine

1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine (PubChem CID 89357865) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine
PubChem CID89357865
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine
SMILESC/C=C\C=C(/CC)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C16H28N2/c1-3-5-8-15(4-2)18-13-9-16(10-14-18)17-11-6-7-12-17/h3,5,8,16H,4,6-7,9-14H2,1-2H3/b5-3-,15-8+
InChIKeyTVRQXSJGVFJLKU-KSLVXVIKSA-N
XLogP3.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine (CID 89357865) is 1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine is C/C=C\C=C(/CC)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine?
The InChIKey is TVRQXSJGVFJLKU-KSLVXVIKSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-5-8-15(4-2)18-13-9-16(10-14-18)17-11-6-7-12-17/h3,5,8,16H,4,6-7,9-14H2,1-2H3/b5-3-,15-8+.
What are the key properties of 1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine?
1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine has a molecular weight of 248.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 89357865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).