[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine

C11H23N3 — CID 43373551

IUPAC[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCN1CCC(N2CCC(CN)C2)CC1
InChIInChI=1S/C11H23N3/c1-13-5-3-11(4-6-13)14-7-2-10(8-12)9-14/h10-11H,2-9,12H2,1H3
InChIKeyJPLNEPCOGFPVSR-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.36
Rot. Bonds2

About [1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine

[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 43373551) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is [1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID43373551
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCN1CCC(N2CCC(CN)C2)CC1
InChIInChI=1S/C11H23N3/c1-13-5-3-11(4-6-13)14-7-2-10(8-12)9-14/h10-11H,2-9,12H2,1H3
InChIKeyJPLNEPCOGFPVSR-UHFFFAOYSA-N
XLogP0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine (CID 43373551) is [1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine is CN1CCC(N2CCC(CN)C2)CC1.
What is the InChIKey of [1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is JPLNEPCOGFPVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13-5-3-11(4-6-13)14-7-2-10(8-12)9-14/h10-11H,2-9,12H2,1H3.
What are the key properties of [1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 197.33 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 43373551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).