1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine

C21H36N2 — CID 3012267

IUPAC1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine
SMILESC1CCN(CCN2CCC(C3C4CC5CC(C4)CC3C5)C2)CC1
InChIInChI=1S/C21H36N2/c1-2-5-22(6-3-1)8-9-23-7-4-18(15-23)21-19-11-16-10-17(13-19)14-20(21)12-16/h16-21H,1-15H2
InChIKeyWIAFWMYRVLCIJY-UHFFFAOYSA-N
MW316.53 g/mol
LogP3.87
Rot. Bonds4

About 1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine

1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine (PubChem CID 3012267) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine
PubChem CID3012267
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC Name1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine
SMILESC1CCN(CCN2CCC(C3C4CC5CC(C4)CC3C5)C2)CC1
InChIInChI=1S/C21H36N2/c1-2-5-22(6-3-1)8-9-23-7-4-18(15-23)21-19-11-16-10-17(13-19)14-20(21)12-16/h16-21H,1-15H2
InChIKeyWIAFWMYRVLCIJY-UHFFFAOYSA-N
XLogP3.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine (CID 3012267) is 1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine is C1CCN(CCN2CCC(C3C4CC5CC(C4)CC3C5)C2)CC1.
What is the InChIKey of 1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine?
The InChIKey is WIAFWMYRVLCIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2/c1-2-5-22(6-3-1)8-9-23-7-4-18(15-23)21-19-11-16-10-17(13-19)14-20(21)12-16/h16-21H,1-15H2.
What are the key properties of 1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine?
1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine has a molecular weight of 316.53 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine is sourced from PubChem (CID 3012267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).