4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride

C13H28Cl2N2 — CID 56831635

IUPAC4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride
SMILESCC1CCN(CCC2CCCCN2)CC1.Cl.Cl
InChIInChI=1S/C13H26N2.2ClH/c1-12-5-9-15(10-6-12)11-7-13-4-2-3-8-14-13;;/h12-14H,2-11H2,1H3;2*1H
InChIKeySXMIZKJOBABDND-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.09
Rot. Bonds3

About 4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride

4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride (PubChem CID 56831635) has the molecular formula C13H28Cl2N2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride
PubChem CID56831635
Molecular FormulaC13H28Cl2N2
Molecular Weight283.29 g/mol
Exact Mass282.16
IUPAC Name4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride
SMILESCC1CCN(CCC2CCCCN2)CC1.Cl.Cl
InChIInChI=1S/C13H26N2.2ClH/c1-12-5-9-15(10-6-12)11-7-13-4-2-3-8-14-13;;/h12-14H,2-11H2,1H3;2*1H
InChIKeySXMIZKJOBABDND-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
N,N-dimethyl-1-(2-piperidin-2-ylethyl)piperidin-4-amine
CID 43586097
1-ethyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149889
2,4-dimethyl-1-(2-piperidin-2-ylethyl)piperidine
CID 62331966
1-(azepan-2-ylmethyl)-4-methylazepane
CID 64570778
1-(2-methylpropyl)-4-(2-piperidin-2-ylethyl)piperazine
CID 62777599
N,N-dimethyl-1-(2-pyrrolidin-2-ylethyl)piperidin-4-amine
CID 61364502
2-[2-(2-methylpyrrolidin-1-yl)ethyl]piperidine
CID 60973343
4-ethyl-4-methyl-1-(2-piperidin-2-ylethyl)piperidine
CID 55166220
2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine
CID 84657646
2,3-dimethyl-1-(2-piperidin-2-ylethyl)piperidine
CID 62124094
4-ethyl-1-(3-piperidin-2-ylpropyl)piperidine
CID 62212363

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride?
The IUPAC name of 4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride (CID 56831635) is 4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride.
What is the SMILES notation for 4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride?
The canonical SMILES for 4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride is CC1CCN(CCC2CCCCN2)CC1.Cl.Cl.
What is the InChIKey of 4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride?
The InChIKey is SXMIZKJOBABDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.2ClH/c1-12-5-9-15(10-6-12)11-7-13-4-2-3-8-14-13;;/h12-14H,2-11H2,1H3;2*1H.
What are the key properties of 4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride?
4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride has a molecular weight of 283.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride is sourced from PubChem (CID 56831635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).