2-piperidin-1-ylethanimidamide;dihydrochloride

C7H17Cl2N3 — CID 47002206

IUPAC2-piperidin-1-ylethanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CN1CCCCC1
InChIInChI=1S/C7H15N3.2ClH/c8-7(9)6-10-4-2-1-3-5-10;;/h1-6H2,(H3,8,9);2*1H
InChIKeyDIKJLUSQBWYVKR-UHFFFAOYSA-N
MW214.14 g/mol
LogP1.25
Rot. Bonds2

About 2-piperidin-1-ylethanimidamide;dihydrochloride

2-piperidin-1-ylethanimidamide;dihydrochloride (PubChem CID 47002206) has the molecular formula C7H17Cl2N3 and a molecular weight of 214.14 g/mol. Its IUPAC name is 2-piperidin-1-ylethanimidamide;dihydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethanimidamide;dihydrochloride
PubChem CID47002206
Molecular FormulaC7H17Cl2N3
Molecular Weight214.14 g/mol
Exact Mass213.08
IUPAC Name2-piperidin-1-ylethanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CN1CCCCC1
InChIInChI=1S/C7H15N3.2ClH/c8-7(9)6-10-4-2-1-3-5-10;;/h1-6H2,(H3,8,9);2*1H
InChIKeyDIKJLUSQBWYVKR-UHFFFAOYSA-N
XLogP1.25
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-piperidin-1-ylethanimidamide;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-(Piperidin-1-yl)propanimidamide dihydrochloride
CID 71758724
1-Piperidineethanimidamide
CID 24703049
2-(4-Iodopiperidin-1-yl)ethanimidamide
CID 144389732
4-Piperidin-1-ylbutanimidamide
CID 21508138
1-Methylpiperidine-2-carboximidamide;dihydrochloride
CID 42614743
4-(Piperidin-1-yl)butanimidamide dihydrochloride
CID 47002373
5-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]pentanimidamide
CID 55128278
N'-amino-2-piperidin-1-ylethanimidamide
CID 55280457
5-Piperidin-1-ylpentanimidamide
CID 61521171
5-(4-Propylpiperazin-1-yl)pentanimidamide
CID 61521212
5-(4-Ethylpiperazin-1-yl)pentanimidamide
CID 61521213
5-(4-Methylpiperazin-1-yl)pentanimidamide
CID 61521369

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethanimidamide;dihydrochloride?
The IUPAC name of 2-piperidin-1-ylethanimidamide;dihydrochloride (CID 47002206) is 2-piperidin-1-ylethanimidamide;dihydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethanimidamide;dihydrochloride?
The canonical SMILES for 2-piperidin-1-ylethanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethanimidamide;dihydrochloride?
The InChIKey is DIKJLUSQBWYVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3.2ClH/c8-7(9)6-10-4-2-1-3-5-10;;/h1-6H2,(H3,8,9);2*1H.
What are the key properties of 2-piperidin-1-ylethanimidamide;dihydrochloride?
2-piperidin-1-ylethanimidamide;dihydrochloride has a molecular weight of 214.14 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethanimidamide;dihydrochloride is sourced from PubChem (CID 47002206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).