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

C13H28Cl2N2 — CID 56831695

IUPAC3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride
SMILESCC1CCCN(CCC2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C13H26N2.2ClH/c1-12-3-2-9-15(11-12)10-6-13-4-7-14-8-5-13;;/h12-14H,2-11H2,1H3;2*1H
InChIKeyPGYDGFASJRQEFT-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.95
Rot. Bonds3

About 3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride

3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride (PubChem CID 56831695) has the molecular formula C13H28Cl2N2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride.

Molecular Properties

Compound Name3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride
PubChem CID56831695
Molecular FormulaC13H28Cl2N2
Molecular Weight283.29 g/mol
Exact Mass282.16
IUPAC Name3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride
SMILESCC1CCCN(CCC2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C13H26N2.2ClH/c1-12-3-2-9-15(11-12)10-6-13-4-7-14-8-5-13;;/h12-14H,2-11H2,1H3;2*1H
InChIKeyPGYDGFASJRQEFT-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-(2-piperidin-4-ylethyl)piperidine;hydrochloride
CID 120663388
N,N-dimethyl-1-(2-piperidin-4-ylethyl)piperidin-3-amine;dihydrochloride
CID 120663622
3,5-dimethyl-1-(2-piperidin-4-ylethyl)piperidine
CID 43149903
1-(2-piperidin-4-ylethyl)piperidin-3-ol
CID 83821198
(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86323532
4-methyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119930987
3-methyl-1-(3-piperidin-4-yloxypropyl)piperidine
CID 63904524
3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine
CID 91419718
1-[2-(azetidin-3-yl)ethyl]-4-methylazepane
CID 116680054
3-methyl-1-propylpiperidine;propane
CID 145147959
ethane;3-methyl-1-propylpiperidine
CID 156729460

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride?
The IUPAC name of 3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride (CID 56831695) is 3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride.
What is the SMILES notation for 3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride?
The canonical SMILES for 3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride is CC1CCCN(CCC2CCNCC2)C1.Cl.Cl.
What is the InChIKey of 3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride?
The InChIKey is PGYDGFASJRQEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.2ClH/c1-12-3-2-9-15(11-12)10-6-13-4-7-14-8-5-13;;/h12-14H,2-11H2,1H3;2*1H.
What are the key properties of 3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride?
3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride has a molecular weight of 283.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride is sourced from PubChem (CID 56831695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).