3-methyl-1-(piperidin-1-ylmethyl)piperidine

C12H24N2 — CID 53421396

IUPAC3-methyl-1-(piperidin-1-ylmethyl)piperidine
SMILESCC1CCCN(CN2CCCCC2)C1
InChIInChI=1S/C12H24N2/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h12H,2-11H2,1H3
InChIKeyQEKAZKLVWDYYRY-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.16
Rot. Bonds2

About 3-methyl-1-(piperidin-1-ylmethyl)piperidine

3-methyl-1-(piperidin-1-ylmethyl)piperidine (PubChem CID 53421396) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-methyl-1-(piperidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name3-methyl-1-(piperidin-1-ylmethyl)piperidine
PubChem CID53421396
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-methyl-1-(piperidin-1-ylmethyl)piperidine
SMILESCC1CCCN(CN2CCCCC2)C1
InChIInChI=1S/C12H24N2/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h12H,2-11H2,1H3
InChIKeyQEKAZKLVWDYYRY-UHFFFAOYSA-N
XLogP2.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(piperidin-1-ylmethyl)piperidine?
The IUPAC name of 3-methyl-1-(piperidin-1-ylmethyl)piperidine (CID 53421396) is 3-methyl-1-(piperidin-1-ylmethyl)piperidine.
What is the SMILES notation for 3-methyl-1-(piperidin-1-ylmethyl)piperidine?
The canonical SMILES for 3-methyl-1-(piperidin-1-ylmethyl)piperidine is CC1CCCN(CN2CCCCC2)C1.
What is the InChIKey of 3-methyl-1-(piperidin-1-ylmethyl)piperidine?
The InChIKey is QEKAZKLVWDYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h12H,2-11H2,1H3.
What are the key properties of 3-methyl-1-(piperidin-1-ylmethyl)piperidine?
3-methyl-1-(piperidin-1-ylmethyl)piperidine has a molecular weight of 196.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(piperidin-1-ylmethyl)piperidine is sourced from PubChem (CID 53421396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).