3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine

C12H24N2 — CID 15165790

IUPAC3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESCC1(C)CCCNC1CN1CCCC1
InChIInChI=1S/C12H24N2/c1-12(2)6-5-7-13-11(12)10-14-8-3-4-9-14/h11,13H,3-10H2,1-2H3
InChIKeyPQVIAQYZDFURJJ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds2

About 3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine

3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 15165790) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID15165790
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESCC1(C)CCCNC1CN1CCCC1
InChIInChI=1S/C12H24N2/c1-12(2)6-5-7-13-11(12)10-14-8-3-4-9-14/h11,13H,3-10H2,1-2H3
InChIKeyPQVIAQYZDFURJJ-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of 3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine (CID 15165790) is 3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for 3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for 3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine is CC1(C)CCCNC1CN1CCCC1.
What is the InChIKey of 3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is PQVIAQYZDFURJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2)6-5-7-13-11(12)10-14-8-3-4-9-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine?
3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 15165790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).