2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine

C19H34N2 — CID 118372877

IUPAC2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine
SMILESCC1CCC(/C(=C\CN2CCCC2)C2CCCCN2)CC1
InChIInChI=1S/C19H34N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h11,16-17,19-20H,2-10,12-15H2,1H3/b18-11+
InChIKeyCMFQBFATCMJRJZ-WOJGMQOQSA-N
MW290.50 g/mol
LogP3.98
Rot. Bonds4

About 2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine

2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine (PubChem CID 118372877) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine.

Molecular Properties

Compound Name2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine
PubChem CID118372877
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine
SMILESCC1CCC(/C(=C\CN2CCCC2)C2CCCCN2)CC1
InChIInChI=1S/C19H34N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h11,16-17,19-20H,2-10,12-15H2,1H3/b18-11+
InChIKeyCMFQBFATCMJRJZ-WOJGMQOQSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
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 2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine?
The IUPAC name of 2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine (CID 118372877) is 2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine.
What is the SMILES notation for 2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine?
The canonical SMILES for 2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine is CC1CCC(/C(=C\CN2CCCC2)C2CCCCN2)CC1.
What is the InChIKey of 2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine?
The InChIKey is CMFQBFATCMJRJZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C19H34N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h11,16-17,19-20H,2-10,12-15H2,1H3/b18-11+.
What are the key properties of 2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine?
2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine has a molecular weight of 290.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine is sourced from PubChem (CID 118372877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).