2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide

C12H23N3O — CID 65493341

IUPAC2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCC(CO)CC2)CC1
InChIInChI=1S/C12H23N3O/c13-11(14)7-12(3-4-12)9-15-5-1-10(8-16)2-6-15/h10,16H,1-9H2,(H3,13,14)
InChIKeyLGVMSOSSGGTMQX-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.80
Rot. Bonds5

About 2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide

2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide (PubChem CID 65493341) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide
PubChem CID65493341
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCC(CO)CC2)CC1
InChIInChI=1S/C12H23N3O/c13-11(14)7-12(3-4-12)9-15-5-1-10(8-16)2-6-15/h10,16H,1-9H2,(H3,13,14)
InChIKeyLGVMSOSSGGTMQX-UHFFFAOYSA-N
XLogP0.80
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.80
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'}

Analyze 2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide (CID 65493341) is 2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCC(CO)CC2)CC1.
What is the InChIKey of 2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide?
The InChIKey is LGVMSOSSGGTMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-11(14)7-12(3-4-12)9-15-5-1-10(8-16)2-6-15/h10,16H,1-9H2,(H3,13,14).
What are the key properties of 2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide?
2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide has a molecular weight of 225.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65493341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).