4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid

C14H27N3O4 — CID 71756459

IUPAC4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid
SMILESCN1CCC(CN)(NC2CCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C12H25N3.C2H2O4/c1-15-8-6-12(10-13,7-9-15)14-11-4-2-3-5-11;3-1(4)2(5)6/h11,14H,2-10,13H2,1H3;(H,3,4)(H,5,6)
InChIKeyZAQGDSLIGCEEEW-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.10
Rot. Bonds3

About 4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid

4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid (PubChem CID 71756459) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid
PubChem CID71756459
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid
SMILESCN1CCC(CN)(NC2CCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C12H25N3.C2H2O4/c1-15-8-6-12(10-13,7-9-15)14-11-4-2-3-5-11;3-1(4)2(5)6/h11,14H,2-10,13H2,1H3;(H,3,4)(H,5,6)
InChIKeyZAQGDSLIGCEEEW-UHFFFAOYSA-N
XLogP0.10
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid?
The IUPAC name of 4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid (CID 71756459) is 4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid?
The canonical SMILES for 4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid is CN1CCC(CN)(NC2CCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid?
The InChIKey is ZAQGDSLIGCEEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.C2H2O4/c1-15-8-6-12(10-13,7-9-15)14-11-4-2-3-5-11;3-1(4)2(5)6/h11,14H,2-10,13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid?
4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid has a molecular weight of 301.39 g/mol, XLogP of 0.10, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid is sourced from PubChem (CID 71756459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).