2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide

C12H18N4 — CID 83888356

IUPAC2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccnc1N1CCCCC1
InChIInChI=1S/C12H18N4/c13-11(14)9-10-5-4-6-15-12(10)16-7-2-1-3-8-16/h4-6H,1-3,7-9H2,(H3,13,14)
InChIKeyAXMUMVPFIMGBGB-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.55
Rot. Bonds3

About 2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide

2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide (PubChem CID 83888356) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide.

Molecular Properties

Compound Name2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide
PubChem CID83888356
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccnc1N1CCCCC1
InChIInChI=1S/C12H18N4/c13-11(14)9-10-5-4-6-15-12(10)16-7-2-1-3-8-16/h4-6H,1-3,7-9H2,(H3,13,14)
InChIKeyAXMUMVPFIMGBGB-UHFFFAOYSA-N
XLogP1.55
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
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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Related Compounds

2-[2-(dimethylamino)-3-pyridinyl]ethanimidamide
CID 83875000
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 170875415
3-(azocan-1-yl)pyridin-2-amine
CID 104539725
N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 78905688
1-(2-piperidin-1-yl-3-pyridinyl)ethanamine
CID 103846595
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
[2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol
CID 114083554
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106667702
2-(3-fluorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093862
2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093870

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide?
The IUPAC name of 2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide (CID 83888356) is 2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide.
What is the SMILES notation for 2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide?
The canonical SMILES for 2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide is [H]/N=C(\N)Cc1cccnc1N1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide?
The InChIKey is AXMUMVPFIMGBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-11(14)9-10-5-4-6-15-12(10)16-7-2-1-3-8-16/h4-6H,1-3,7-9H2,(H3,13,14).
What are the key properties of 2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide?
2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide has a molecular weight of 218.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-yl-3-pyridinyl)ethanimidamide is sourced from PubChem (CID 83888356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).