4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide

C15H24N4 — CID 43586087

IUPAC4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C15H24N4/c1-18(2)14-7-9-19(10-8-14)11-12-3-5-13(6-4-12)15(16)17/h3-6,14H,7-11H2,1-2H3,(H3,16,17)
InChIKeySXWKAYISDLHMKF-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.50
Rot. Bonds4

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

4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide (PubChem CID 43586087) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
PubChem CID43586087
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C15H24N4/c1-18(2)14-7-9-19(10-8-14)11-12-3-5-13(6-4-12)15(16)17/h3-6,14H,7-11H2,1-2H3,(H3,16,17)
InChIKeySXWKAYISDLHMKF-UHFFFAOYSA-N
XLogP1.50
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.50
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-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 61420812
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 103496375
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43246163
4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 112625797
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarboximidamide
CID 79175339
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82696529
4-[(3-phenylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 62133576
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 61434714
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 63170241
4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 24700962
4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
CID 43614126
4-[[4-[3-(4-carbamimidoylphenoxy)propylamino]piperidin-1-yl]methyl]benzenecarboximidamide
CID 58996574

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide (CID 43586087) is 4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCC(N(C)C)CC2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is SXWKAYISDLHMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-18(2)14-7-9-19(10-8-14)11-12-3-5-13(6-4-12)15(16)17/h3-6,14H,7-11H2,1-2H3,(H3,16,17).
What are the key properties of 4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide?
4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide has a molecular weight of 260.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 43586087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).