1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine

C18H35N3O — CID 141027514

IUPAC1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine
SMILESC1CCC(CCN2CCCCC2OCC2CCNCC2)NC1
InChIInChI=1S/C18H35N3O/c1-3-10-20-17(5-1)9-14-21-13-4-2-6-18(21)22-15-16-7-11-19-12-8-16/h16-20H,1-15H2
InChIKeySOCOZIMBEUIQDW-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.35
Rot. Bonds6

About 1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine

1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine (PubChem CID 141027514) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine.

Molecular Properties

Compound Name1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine
PubChem CID141027514
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine
SMILESC1CCC(CCN2CCCCC2OCC2CCNCC2)NC1
InChIInChI=1S/C18H35N3O/c1-3-10-20-17(5-1)9-14-21-13-4-2-6-18(21)22-15-16-7-11-19-12-8-16/h16-20H,1-15H2
InChIKeySOCOZIMBEUIQDW-UHFFFAOYSA-N
XLogP2.35
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine?
The IUPAC name of 1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine (CID 141027514) is 1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine.
What is the SMILES notation for 1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine?
The canonical SMILES for 1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine is C1CCC(CCN2CCCCC2OCC2CCNCC2)NC1.
What is the InChIKey of 1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine?
The InChIKey is SOCOZIMBEUIQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-3-10-20-17(5-1)9-14-21-13-4-2-6-18(21)22-15-16-7-11-19-12-8-16/h16-20H,1-15H2.
What are the key properties of 1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine?
1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine has a molecular weight of 309.50 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine is sourced from PubChem (CID 141027514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).