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

C17H32N2 — CID 18547191

IUPAC1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine
SMILESC/C=C(\C(C)N1CCCC1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H32N2/c1-5-16(15(2)18-11-9-10-12-18)17(3,4)19-13-7-6-8-14-19/h5,15H,6-14H2,1-4H3/b16-5+
InChIKeyUMQBLVSQMJFGSX-FZSIALSZSA-N
MW264.46 g/mol
LogP3.68
Rot. Bonds4

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

1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine (PubChem CID 18547191) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine.

Molecular Properties

Compound Name1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine
PubChem CID18547191
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine
SMILESC/C=C(\C(C)N1CCCC1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H32N2/c1-5-16(15(2)18-11-9-10-12-18)17(3,4)19-13-7-6-8-14-19/h5,15H,6-14H2,1-4H3/b16-5+
InChIKeyUMQBLVSQMJFGSX-FZSIALSZSA-N
XLogP3.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.68
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-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine?
The IUPAC name of 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine (CID 18547191) is 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine.
What is the SMILES notation for 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine?
The canonical SMILES for 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine is C/C=C(\C(C)N1CCCC1)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine?
The InChIKey is UMQBLVSQMJFGSX-FZSIALSZSA-N. The full InChI is InChI=1S/C17H32N2/c1-5-16(15(2)18-11-9-10-12-18)17(3,4)19-13-7-6-8-14-19/h5,15H,6-14H2,1-4H3/b16-5+.
What are the key properties of 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine?
1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine has a molecular weight of 264.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine is sourced from PubChem (CID 18547191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).