2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide

C13H27N5 — CID 140563118

IUPAC2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCNCC1C[C@H]1CCCN(CC)C1
InChIInChI=1S/C13H27N5/c1-2-17-6-3-4-11(10-17)8-12-9-16-5-7-18(12)13(14)15/h11-12,16H,2-10H2,1H3,(H3,14,15)/t11-,12?/m1/s1
InChIKeyMJXSSIKYXXDTAH-JHJMLUEUSA-N
MW253.39 g/mol
LogP0.28
Rot. Bonds3

About 2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide

2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide (PubChem CID 140563118) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide
PubChem CID140563118
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCNCC1C[C@H]1CCCN(CC)C1
InChIInChI=1S/C13H27N5/c1-2-17-6-3-4-11(10-17)8-12-9-16-5-7-18(12)13(14)15/h11-12,16H,2-10H2,1H3,(H3,14,15)/t11-,12?/m1/s1
InChIKeyMJXSSIKYXXDTAH-JHJMLUEUSA-N
XLogP0.28
TPSA68.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.28
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-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide?
The IUPAC name of 2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide (CID 140563118) is 2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide?
The canonical SMILES for 2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide is [H]/N=C(\N)N1CCNCC1C[C@H]1CCCN(CC)C1.
What is the InChIKey of 2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide?
The InChIKey is MJXSSIKYXXDTAH-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H27N5/c1-2-17-6-3-4-11(10-17)8-12-9-16-5-7-18(12)13(14)15/h11-12,16H,2-10H2,1H3,(H3,14,15)/t11-,12?/m1/s1.
What are the key properties of 2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide?
2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide has a molecular weight of 253.39 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 140563118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).