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

C17H32N2 — CID 70027324

IUPAC1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine
SMILESC/C=C(\CCN1CCCC1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H32N2/c1-4-16(10-15-18-11-8-9-12-18)17(2,3)19-13-6-5-7-14-19/h4H,5-15H2,1-3H3/b16-4+
InChIKeyLYHSHFDCJGBGMG-AYSLTRBKSA-N
MW264.46 g/mol
LogP3.68
Rot. Bonds5

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

1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine (PubChem CID 70027324) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine.

Molecular Properties

Compound Name1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine
PubChem CID70027324
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine
SMILESC/C=C(\CCN1CCCC1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H32N2/c1-4-16(10-15-18-11-8-9-12-18)17(2,3)19-13-6-5-7-14-19/h4H,5-15H2,1-3H3/b16-4+
InChIKeyLYHSHFDCJGBGMG-AYSLTRBKSA-N
XLogP3.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

diethyl-[2-(1,1,2,2,6,6-hexamethyl-3H-pyridin-1-ium-4-yl)ethyl]-methylazanium
CID 211024
1-[(Z)-2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine
CID 18547048
1-[(Z)-2,4-dimethyl-3-(2-pyrrolidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperidine
CID 18547133
1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine
CID 18547191
1-[(Z)-3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine
CID 70025408
1-[3-(Pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine
CID 70025410
1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
CID 70025615
1-[2-Methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
CID 70025617
1-[(E)-2,4-dimethyl-3-(2-pyrrolidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperidine
CID 70026960
1-[2,4-Dimethyl-3-(2-pyrrolidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperidine
CID 70026963
1-[2-Methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine
CID 70027327
1-[2-Methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine
CID 70027329

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine?
The IUPAC name of 1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine (CID 70027324) is 1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine.
What is the SMILES notation for 1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine?
The canonical SMILES for 1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine is C/C=C(\CCN1CCCC1)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine?
The InChIKey is LYHSHFDCJGBGMG-AYSLTRBKSA-N. The full InChI is InChI=1S/C17H32N2/c1-4-16(10-15-18-11-8-9-12-18)17(2,3)19-13-6-5-7-14-19/h4H,5-15H2,1-3H3/b16-4+.
What are the key properties of 1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine?
1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine has a molecular weight of 264.46 g/mol, XLogP of 3.68, 5 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-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine is sourced from PubChem (CID 70027324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).