[3-(aminomethyl)piperidin-4-yl]methanamine

C7H17N3 — CID 21186518

IUPAC[3-(aminomethyl)piperidin-4-yl]methanamine
SMILESNCC1CCNCC1CN
InChIInChI=1S/C7H17N3/c8-3-6-1-2-10-5-7(6)4-9/h6-7,10H,1-5,8-9H2
InChIKeyMVBXOOFPHMXURA-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.87
Rot. Bonds2

About [3-(aminomethyl)piperidin-4-yl]methanamine

[3-(aminomethyl)piperidin-4-yl]methanamine (PubChem CID 21186518) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-4-yl]methanamine
PubChem CID21186518
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name[3-(aminomethyl)piperidin-4-yl]methanamine
SMILESNCC1CCNCC1CN
InChIInChI=1S/C7H17N3/c8-3-6-1-2-10-5-7(6)4-9/h6-7,10H,1-5,8-9H2
InChIKeyMVBXOOFPHMXURA-UHFFFAOYSA-N
XLogP-0.87
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-4-yl]methanamine?
The IUPAC name of [3-(aminomethyl)piperidin-4-yl]methanamine (CID 21186518) is [3-(aminomethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [3-(aminomethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [3-(aminomethyl)piperidin-4-yl]methanamine is NCC1CCNCC1CN.
What is the InChIKey of [3-(aminomethyl)piperidin-4-yl]methanamine?
The InChIKey is MVBXOOFPHMXURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c8-3-6-1-2-10-5-7(6)4-9/h6-7,10H,1-5,8-9H2.
What are the key properties of [3-(aminomethyl)piperidin-4-yl]methanamine?
[3-(aminomethyl)piperidin-4-yl]methanamine has a molecular weight of 143.23 g/mol, XLogP of -0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 21186518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).