1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine

C19H34N2 — CID 59110835

IUPAC1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine
SMILESC=CCN1CCC(CCCC2CCN(CC=C)CC2)CC1
InChIInChI=1S/C19H34N2/c1-3-12-20-14-8-18(9-15-20)6-5-7-19-10-16-21(13-4-2)17-11-19/h3-4,18-19H,1-2,5-17H2
InChIKeyKRDNLYKQHYISFY-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.95
Rot. Bonds8

About 1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine

1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine (PubChem CID 59110835) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine.

Molecular Properties

Compound Name1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine
PubChem CID59110835
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine
SMILESC=CCN1CCC(CCCC2CCN(CC=C)CC2)CC1
InChIInChI=1S/C19H34N2/c1-3-12-20-14-8-18(9-15-20)6-5-7-19-10-16-21(13-4-2)17-11-19/h3-4,18-19H,1-2,5-17H2
InChIKeyKRDNLYKQHYISFY-UHFFFAOYSA-N
XLogP3.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine?
The IUPAC name of 1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine (CID 59110835) is 1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine.
What is the SMILES notation for 1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine?
The canonical SMILES for 1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine is C=CCN1CCC(CCCC2CCN(CC=C)CC2)CC1.
What is the InChIKey of 1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine?
The InChIKey is KRDNLYKQHYISFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-3-12-20-14-8-18(9-15-20)6-5-7-19-10-16-21(13-4-2)17-11-19/h3-4,18-19H,1-2,5-17H2.
What are the key properties of 1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine?
1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine has a molecular weight of 290.50 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-[3-(1-prop-2-enylpiperidin-4-yl)propyl]piperidine is sourced from PubChem (CID 59110835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).