3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide

C16H32N4 — CID 111042541

IUPAC3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(C(C)C)N2CCCC2)C1
InChIInChI=1S/C16H32N4/c1-13(2)15(19-8-4-5-9-19)11-18-16(17)20-10-6-7-14(3)12-20/h13-15H,4-12H2,1-3H3,(H2,17,18)
InChIKeyPTJLPZUPBOQVML-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.15
Rot. Bonds4

About 3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide

3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide (PubChem CID 111042541) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
PubChem CID111042541
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(C(C)C)N2CCCC2)C1
InChIInChI=1S/C16H32N4/c1-13(2)15(19-8-4-5-9-19)11-18-16(17)20-10-6-7-14(3)12-20/h13-15H,4-12H2,1-3H3,(H2,17,18)
InChIKeyPTJLPZUPBOQVML-UHFFFAOYSA-N
XLogP2.15
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
CID 111041135
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920030
3-methyl-N'-(4-methylpent-1-yn-3-yl)piperidine-1-carboximidamide
CID 120679758
N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111056636
N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111027183
3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111970356
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111911277
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
CID 111084919

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide (CID 111042541) is 3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC(C(C)C)N2CCCC2)C1.
What is the InChIKey of 3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide?
The InChIKey is PTJLPZUPBOQVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-13(2)15(19-8-4-5-9-19)11-18-16(17)20-10-6-7-14(3)12-20/h13-15H,4-12H2,1-3H3,(H2,17,18).
What are the key properties of 3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide?
3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide has a molecular weight of 280.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111042541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).