1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine

C18H34N2 — CID 63259630

IUPAC1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine
SMILESCCCC1CCC(N2CCC(C3CCCN3)CC2)CC1
InChIInChI=1S/C18H34N2/c1-2-4-15-6-8-17(9-7-15)20-13-10-16(11-14-20)18-5-3-12-19-18/h15-19H,2-14H2,1H3
InChIKeyCHOXGTKVSYSCPL-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds4

About 1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine

1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine (PubChem CID 63259630) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine
PubChem CID63259630
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine
SMILESCCCC1CCC(N2CCC(C3CCCN3)CC2)CC1
InChIInChI=1S/C18H34N2/c1-2-4-15-6-8-17(9-7-15)20-13-10-16(11-14-20)18-5-3-12-19-18/h15-19H,2-14H2,1H3
InChIKeyCHOXGTKVSYSCPL-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine (CID 63259630) is 1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine is CCCC1CCC(N2CCC(C3CCCN3)CC2)CC1.
What is the InChIKey of 1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine?
The InChIKey is CHOXGTKVSYSCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-2-4-15-6-8-17(9-7-15)20-13-10-16(11-14-20)18-5-3-12-19-18/h15-19H,2-14H2,1H3.
What are the key properties of 1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine?
1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine has a molecular weight of 278.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63259630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).