2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine

C12H25N3 — CID 165347854

IUPAC2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine
SMILESCN1CCCC(C(CN)N2CCCC2)C1
InChIInChI=1S/C12H25N3/c1-14-6-4-5-11(10-14)12(9-13)15-7-2-3-8-15/h11-12H,2-10,13H2,1H3
InChIKeyLQZDJBGVELJURI-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.75
Rot. Bonds3

About 2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine

2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 165347854) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID165347854
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine
SMILESCN1CCCC(C(CN)N2CCCC2)C1
InChIInChI=1S/C12H25N3/c1-14-6-4-5-11(10-14)12(9-13)15-7-2-3-8-15/h11-12H,2-10,13H2,1H3
InChIKeyLQZDJBGVELJURI-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-pyrrolidin-1-ylethanamine
CID 62071576
(2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 124668280
1-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 116933806
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
3-methoxy-3-(1-methylpiperidin-3-yl)propan-1-amine
CID 105442328
4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine
CID 115022101
2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)ethanamine
CID 106586234
2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988805
2-cyclopentyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171954
1-methyl-3-(2-methylpentan-3-yl)piperidine
CID 137432398
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63169631

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine (CID 165347854) is 2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine is CN1CCCC(C(CN)N2CCCC2)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is LQZDJBGVELJURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-6-4-5-11(10-14)12(9-13)15-7-2-3-8-15/h11-12H,2-10,13H2,1H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine?
2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 211.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 165347854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).