1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine

C14H27N3 — CID 70025156

IUPAC1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine
SMILESC/C=C(/CCN1CCCCC1)CC1NCCN1
InChIInChI=1S/C14H27N3/c1-2-13(12-14-15-7-8-16-14)6-11-17-9-4-3-5-10-17/h2,14-16H,3-12H2,1H3/b13-2-
InChIKeyMKSTYSQHMAFQTO-SILLCRNTSA-N
MW237.39 g/mol
LogP1.72
Rot. Bonds5

About 1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine

1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine (PubChem CID 70025156) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine.

Molecular Properties

Compound Name1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine
PubChem CID70025156
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine
SMILESC/C=C(/CCN1CCCCC1)CC1NCCN1
InChIInChI=1S/C14H27N3/c1-2-13(12-14-15-7-8-16-14)6-11-17-9-4-3-5-10-17/h2,14-16H,3-12H2,1H3/b13-2-
InChIKeyMKSTYSQHMAFQTO-SILLCRNTSA-N
XLogP1.72
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine?
The IUPAC name of 1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine (CID 70025156) is 1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine.
What is the SMILES notation for 1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine?
The canonical SMILES for 1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine is C/C=C(/CCN1CCCCC1)CC1NCCN1.
What is the InChIKey of 1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine?
The InChIKey is MKSTYSQHMAFQTO-SILLCRNTSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-13(12-14-15-7-8-16-14)6-11-17-9-4-3-5-10-17/h2,14-16H,3-12H2,1H3/b13-2-.
What are the key properties of 1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine?
1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine has a molecular weight of 237.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-(imidazolidin-2-ylmethyl)pent-3-enyl]piperidine is sourced from PubChem (CID 70025156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).