1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride

C13H27ClN2 — CID 54598832

IUPAC1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride
SMILESCN1CCCCC1CCN1CCCCC1.Cl
InChIInChI=1S/C13H26N2.ClH/c1-14-9-6-3-7-13(14)8-12-15-10-4-2-5-11-15;/h13H,2-12H2,1H3;1H
InChIKeyHHTFNNFBOZCCQJ-UHFFFAOYSA-N
MW246.83 g/mol
LogP2.77
Rot. Bonds3

About 1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride

1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride (PubChem CID 54598832) has the molecular formula C13H27ClN2 and a molecular weight of 246.83 g/mol. Its IUPAC name is 1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride
PubChem CID54598832
Molecular FormulaC13H27ClN2
Molecular Weight246.83 g/mol
Exact Mass246.19
IUPAC Name1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride
SMILESCN1CCCCC1CCN1CCCCC1.Cl
InChIInChI=1S/C13H26N2.ClH/c1-14-9-6-3-7-13(14)8-12-15-10-4-2-5-11-15;/h13H,2-12H2,1H3;1H
InChIKeyHHTFNNFBOZCCQJ-UHFFFAOYSA-N
XLogP2.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.83
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride?
The IUPAC name of 1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride (CID 54598832) is 1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride?
The canonical SMILES for 1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride is CN1CCCCC1CCN1CCCCC1.Cl.
What is the InChIKey of 1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride?
The InChIKey is HHTFNNFBOZCCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.ClH/c1-14-9-6-3-7-13(14)8-12-15-10-4-2-5-11-15;/h13H,2-12H2,1H3;1H.
What are the key properties of 1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride?
1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride has a molecular weight of 246.83 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride is sourced from PubChem (CID 54598832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).