[1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine

C12H25N3 — CID 82612828

IUPAC[1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)C1CC1CCNCC1
InChIInChI=1S/C12H25N3/c1-15-7-4-11(9-13)12(15)8-10-2-5-14-6-3-10/h10-12,14H,2-9,13H2,1H3
InChIKeyMFFWKZVAJCESFB-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.66
Rot. Bonds3

About [1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine

[1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine (PubChem CID 82612828) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is [1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine
PubChem CID82612828
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name[1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)C1CC1CCNCC1
InChIInChI=1S/C12H25N3/c1-15-7-4-11(9-13)12(15)8-10-2-5-14-6-3-10/h10-12,14H,2-9,13H2,1H3
InChIKeyMFFWKZVAJCESFB-UHFFFAOYSA-N
XLogP0.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine (CID 82612828) is [1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine is CN1CCC(CN)C1CC1CCNCC1.
What is the InChIKey of [1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is MFFWKZVAJCESFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-15-7-4-11(9-13)12(15)8-10-2-5-14-6-3-10/h10-12,14H,2-9,13H2,1H3.
What are the key properties of [1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine?
[1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 211.35 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 82612828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).