4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide

C15H23N3 — CID 61420812

IUPAC4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(CC)CC2)cc1
InChIInChI=1S/C15H23N3/c1-2-12-7-9-18(10-8-12)11-13-3-5-14(6-4-13)15(16)17/h3-6,12H,2,7-11H2,1H3,(H3,16,17)
InChIKeyQYCREYSWVPEMAY-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.59
Rot. Bonds4

About 4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide

4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 61420812) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID61420812
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(CC)CC2)cc1
InChIInChI=1S/C15H23N3/c1-2-12-7-9-18(10-8-12)11-13-3-5-14(6-4-13)15(16)17/h3-6,12H,2,7-11H2,1H3,(H3,16,17)
InChIKeyQYCREYSWVPEMAY-UHFFFAOYSA-N
XLogP2.59
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 103496375
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43246163
4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43586087
3-chloro-4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 102667805
4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 112625797
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82696529
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarboximidamide
CID 79175339
1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
CID 159274096
4-[(3-phenylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 62133576
4-[(4-ethylazepan-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790895
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 61434714
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide (CID 61420812) is 4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCC(CC)CC2)cc1.
What is the InChIKey of 4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is QYCREYSWVPEMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-12-7-9-18(10-8-12)11-13-3-5-14(6-4-13)15(16)17/h3-6,12H,2,7-11H2,1H3,(H3,16,17).
What are the key properties of 4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide?
4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 61420812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).