1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine

C18H34N2 — CID 70027374

IUPAC1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine
SMILESCC=C(C(C)N1CCCCC1)C(C)(C)N1CCCCC1
InChIInChI=1S/C18H34N2/c1-5-17(16(2)19-12-8-6-9-13-19)18(3,4)20-14-10-7-11-15-20/h5,16H,6-15H2,1-4H3
InChIKeyORZKLDSOHXVBPJ-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.07
Rot. Bonds4

About 1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine

1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine (PubChem CID 70027374) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine.

Molecular Properties

Compound Name1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine
PubChem CID70027374
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine
SMILESCC=C(C(C)N1CCCCC1)C(C)(C)N1CCCCC1
InChIInChI=1S/C18H34N2/c1-5-17(16(2)19-12-8-6-9-13-19)18(3,4)20-14-10-7-11-15-20/h5,16H,6-15H2,1-4H3
InChIKeyORZKLDSOHXVBPJ-UHFFFAOYSA-N
XLogP4.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.07
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-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine?
The IUPAC name of 1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine (CID 70027374) is 1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine.
What is the SMILES notation for 1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine?
The canonical SMILES for 1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine is CC=C(C(C)N1CCCCC1)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine?
The InChIKey is ORZKLDSOHXVBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-17(16(2)19-12-8-6-9-13-19)18(3,4)20-14-10-7-11-15-20/h5,16H,6-15H2,1-4H3.
What are the key properties of 1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine?
1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine has a molecular weight of 278.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine is sourced from PubChem (CID 70027374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).