(4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine

C12H22N2 — CID 166713414

IUPAC(4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine
SMILESC/C=C1\CCNCC1CC1CCCN1
InChIInChI=1S/C12H22N2/c1-2-10-5-7-13-9-11(10)8-12-4-3-6-14-12/h2,11-14H,3-9H2,1H3/b10-2+
InChIKeySORNLUVZEMCBOG-WTDSWWLTSA-N
MW194.32 g/mol
LogP1.68
Rot. Bonds2

About (4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine

(4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine (PubChem CID 166713414) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine.

Molecular Properties

Compound Name(4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine
PubChem CID166713414
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine
SMILESC/C=C1\CCNCC1CC1CCCN1
InChIInChI=1S/C12H22N2/c1-2-10-5-7-13-9-11(10)8-12-4-3-6-14-12/h2,11-14H,3-9H2,1H3/b10-2+
InChIKeySORNLUVZEMCBOG-WTDSWWLTSA-N
XLogP1.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
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 (4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine?
The IUPAC name of (4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine (CID 166713414) is (4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine.
What is the SMILES notation for (4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine?
The canonical SMILES for (4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine is C/C=C1\CCNCC1CC1CCCN1.
What is the InChIKey of (4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine?
The InChIKey is SORNLUVZEMCBOG-WTDSWWLTSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-10-5-7-13-9-11(10)8-12-4-3-6-14-12/h2,11-14H,3-9H2,1H3/b10-2+.
What are the key properties of (4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine?
(4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine has a molecular weight of 194.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine is sourced from PubChem (CID 166713414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).