N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide

C19H32N6 — CID 111053335

IUPACN'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCCN1CCN(c2ccc(C/N=C(\N)N3CCCC(C)C3)cn2)CC1
InChIInChI=1S/C19H32N6/c1-3-23-9-11-24(12-10-23)18-7-6-17(13-21-18)14-22-19(20)25-8-4-5-16(2)15-25/h6-7,13,16H,3-5,8-12,14-15H2,1-2H3,(H2,20,22)
InChIKeyBELRJBYPKXTDIN-UHFFFAOYSA-N
MW344.51 g/mol
LogP1.77
Rot. Bonds4

About N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide

N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111053335) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111053335
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC NameN'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCCN1CCN(c2ccc(C/N=C(\N)N3CCCC(C)C3)cn2)CC1
InChIInChI=1S/C19H32N6/c1-3-23-9-11-24(12-10-23)18-7-6-17(13-21-18)14-22-19(20)25-8-4-5-16(2)15-25/h6-7,13,16H,3-5,8-12,14-15H2,1-2H3,(H2,20,22)
InChIKeyBELRJBYPKXTDIN-UHFFFAOYSA-N
XLogP1.77
TPSA60.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920159
N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111053246
N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048899
3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide
CID 111049058
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491
3-methyl-N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041232
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide
CID 86864363
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
N'-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111050818

Frequently Asked Questions

What is the IUPAC name of N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide (CID 111053335) is N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide is CCN1CCN(c2ccc(C/N=C(\N)N3CCCC(C)C3)cn2)CC1.
What is the InChIKey of N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is BELRJBYPKXTDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6/c1-3-23-9-11-24(12-10-23)18-7-6-17(13-21-18)14-22-19(20)25-8-4-5-16(2)15-25/h6-7,13,16H,3-5,8-12,14-15H2,1-2H3,(H2,20,22).
What are the key properties of N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide?
N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 344.51 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111053335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).