2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine

C13H27N3 — CID 131493626

IUPAC2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine
SMILESCC1CCCCN1C1CCN(CCN)CC1
InChIInChI=1S/C13H27N3/c1-12-4-2-3-8-16(12)13-5-9-15(10-6-13)11-7-14/h12-13H,2-11,14H2,1H3
InChIKeyRYSGNUOKTYSMND-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.28
Rot. Bonds3

About 2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine

2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine (PubChem CID 131493626) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine
PubChem CID131493626
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine
SMILESCC1CCCCN1C1CCN(CCN)CC1
InChIInChI=1S/C13H27N3/c1-12-4-2-3-8-16(12)13-5-9-15(10-6-13)11-7-14/h12-13H,2-11,14H2,1H3
InChIKeyRYSGNUOKTYSMND-UHFFFAOYSA-N
XLogP1.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine
CID 165486393
2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 130820559
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
4-(2-methylpiperidin-1-yl)cyclohexan-1-amine
CID 62807430
(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 14734985
1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
CID 30983085
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine
CID 117044503
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129375560

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine (CID 131493626) is 2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine is CC1CCCCN1C1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine?
The InChIKey is RYSGNUOKTYSMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12-4-2-3-8-16(12)13-5-9-15(10-6-13)11-7-14/h12-13H,2-11,14H2,1H3.
What are the key properties of 2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine?
2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine has a molecular weight of 225.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 131493626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).