[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine

C12H25N3 — CID 156595342

IUPAC[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
SMILESCN1CCC(CN2CCCC(CN)C2)C1
InChIInChI=1S/C12H25N3/c1-14-6-4-12(8-14)10-15-5-2-3-11(7-13)9-15/h11-12H,2-10,13H2,1H3
InChIKeyUBJOSLJXJGANJX-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.61
Rot. Bonds3

About [1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine

[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine (PubChem CID 156595342) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is [1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
PubChem CID156595342
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
SMILESCN1CCC(CN2CCCC(CN)C2)C1
InChIInChI=1S/C12H25N3/c1-14-6-4-12(8-14)10-15-5-2-3-11(7-13)9-15/h11-12H,2-10,13H2,1H3
InChIKeyUBJOSLJXJGANJX-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

[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
2-[3-(aminomethyl)piperidin-1-yl]ethanethiol
CID 84655015
[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837602
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492
[1-(3-fluoropropyl)piperidin-3-yl]methanamine
CID 81107283
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 114515912
ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine
CID 171641483
(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171641277

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine (CID 156595342) is [1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine is CN1CCC(CN2CCCC(CN)C2)C1.
What is the InChIKey of [1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine?
The InChIKey is UBJOSLJXJGANJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-6-4-12(8-14)10-15-5-2-3-11(7-13)9-15/h11-12H,2-10,13H2,1H3.
What are the key properties of [1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine?
[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine 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 [1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 156595342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).