2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine

C10H21N5O — CID 20641635

IUPAC2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine
SMILESCNC1CCN(C(=O)CCN=C(N)N)CC1
InChIInChI=1S/C10H21N5O/c1-13-8-3-6-15(7-4-8)9(16)2-5-14-10(11)12/h8,13H,2-7H2,1H3,(H4,11,12,14)
InChIKeyHZZWPJKPJJKILQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP-1.14
Rot. Bonds4

About 2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine

2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine (PubChem CID 20641635) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine.

Molecular Properties

Compound Name2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine
PubChem CID20641635
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine
SMILESCNC1CCN(C(=O)CCN=C(N)N)CC1
InChIInChI=1S/C10H21N5O/c1-13-8-3-6-15(7-4-8)9(16)2-5-14-10(11)12/h8,13H,2-7H2,1H3,(H4,11,12,14)
InChIKeyHZZWPJKPJJKILQ-UHFFFAOYSA-N
XLogP-1.14
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine?
The IUPAC name of 2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine (CID 20641635) is 2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine.
What is the SMILES notation for 2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine?
The canonical SMILES for 2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine is CNC1CCN(C(=O)CCN=C(N)N)CC1.
What is the InChIKey of 2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine?
The InChIKey is HZZWPJKPJJKILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-13-8-3-6-15(7-4-8)9(16)2-5-14-10(11)12/h8,13H,2-7H2,1H3,(H4,11,12,14).
What are the key properties of 2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine?
2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine has a molecular weight of 227.31 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]guanidine is sourced from PubChem (CID 20641635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).