2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine

C12H25N3 — CID 116962889

IUPAC2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine
SMILESCN1CCC(C2CCN(CCN)CC2)C1
InChIInChI=1S/C12H25N3/c1-14-6-2-12(10-14)11-3-7-15(8-4-11)9-5-13/h11-12H,2-10,13H2,1H3
InChIKeyKWRODJPIARAKPI-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.61
Rot. Bonds3

About 2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine

2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine (PubChem CID 116962889) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine
PubChem CID116962889
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine
SMILESCN1CCC(C2CCN(CCN)CC2)C1
InChIInChI=1S/C12H25N3/c1-14-6-2-12(10-14)11-3-7-15(8-4-11)9-5-13/h11-12H,2-10,13H2,1H3
InChIKeyKWRODJPIARAKPI-UHFFFAOYSA-N
XLogP0.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
1-Methyl-4-(pyrrolidin-3-yl)piperidine
CID 64434666
2-(1-Methylpiperidin-3-yl)ethan-1-amine
CID 12253960
2-(1,4-Dimethylpiperazin-2-yl)-3-methylpentan-1-amine
CID 3052885
(1-(2-(Dimethylamino)ethyl)piperidin-4-yl)methanamine
CID 28397654
2-(4-Methylpiperidin-1-yl)ethan-1-amine
CID 783700
2-(3-Methyl-1-piperidinyl)ethanamine
CID 3149268
2-(4-Ethylpiperidin-1-yl)ethanamine
CID 20819864
3-(1-Methylpyrrolidin-3-yl)propan-1-amine
CID 23009458
3-(1-Methylpiperidin-4-yl)propan-1-amine
CID 23498080
2-Methyl-2,6-diazaspiro[4.5]decane
CID 55264586
2-(2-Azabicyclo(2.2.1)heptan-2-yl)ethan-1-amine
CID 57640033

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine (CID 116962889) is 2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine is CN1CCC(C2CCN(CCN)CC2)C1.
What is the InChIKey of 2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine?
The InChIKey is KWRODJPIARAKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-6-2-12(10-14)11-3-7-15(8-4-11)9-5-13/h11-12H,2-10,13H2,1H3.
What are the key properties of 2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine?
2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine has a molecular weight of 211.35 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 116962889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).