4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide

C17H26N4 — CID 63170241

IUPAC4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(N3CCCCC3)C2)cc1
InChIInChI=1S/C17H26N4/c18-17(19)15-6-4-14(5-7-15)12-20-11-8-16(13-20)21-9-2-1-3-10-21/h4-7,16H,1-3,8-13H2,(H3,18,19)
InChIKeyCFASKKGYTCKXDX-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.03
Rot. Bonds4

About 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide

4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 63170241) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
PubChem CID63170241
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(N3CCCCC3)C2)cc1
InChIInChI=1S/C17H26N4/c18-17(19)15-6-4-14(5-7-15)12-20-11-8-16(13-20)21-9-2-1-3-10-21/h4-7,16H,1-3,8-13H2,(H3,18,19)
InChIKeyCFASKKGYTCKXDX-UHFFFAOYSA-N
XLogP2.03
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.03
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

4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarboximidamide
CID 79175339
3-chloro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 102667918
N'-hydroxy-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 76986935
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882044
4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 112625797
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 61434714
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43246163
4-[(3-phenylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 62133576
1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 55159178
4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide
CID 95299028
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 79918391
4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 61420812

Frequently Asked Questions

What is the IUPAC name of 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide (CID 63170241) is 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCC(N3CCCCC3)C2)cc1.
What is the InChIKey of 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is CFASKKGYTCKXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c18-17(19)15-6-4-14(5-7-15)12-20-11-8-16(13-20)21-9-2-1-3-10-21/h4-7,16H,1-3,8-13H2,(H3,18,19).
What are the key properties of 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide?
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 286.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 63170241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).