3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide

C14H21N3 — CID 24711714

IUPAC3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2CCC(C)CC2)c1
InChIInChI=1S/C14H21N3/c1-11-5-7-17(8-6-11)10-12-3-2-4-13(9-12)14(15)16/h2-4,9,11H,5-8,10H2,1H3,(H3,15,16)
InChIKeyQUAAAIGYBTYHFH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.20
Rot. Bonds3

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

3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 24711714) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID24711714
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2CCC(C)CC2)c1
InChIInChI=1S/C14H21N3/c1-11-5-7-17(8-6-11)10-12-3-2-4-13(9-12)14(15)16/h2-4,9,11H,5-8,10H2,1H3,(H3,15,16)
InChIKeyQUAAAIGYBTYHFH-UHFFFAOYSA-N
XLogP2.20
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.20
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'}

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Related Compounds

3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 63610928
3-[(4,4-diethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 63158889
3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24708310
3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzenecarboximidamide
CID 81198749
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 114593539
3-[3-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-2-oxo-1,3-diazinan-1-yl]benzenecarboximidamide
CID 118542847
3-[[3-[(3-carbamimidoylphenyl)methyl]-2-oxoimidazol-1-yl]methyl]benzenecarboximidamide
CID 19689343
4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 61420812
3-[3-[[1-[(4-aminophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-2-oxo-1,3-diazinan-1-yl]benzenecarboximidamide
CID 118543002
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 103496375
4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43586087
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 63236274

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide (CID 24711714) is 3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN2CCC(C)CC2)c1.
What is the InChIKey of 3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is QUAAAIGYBTYHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-5-7-17(8-6-11)10-12-3-2-4-13(9-12)14(15)16/h2-4,9,11H,5-8,10H2,1H3,(H3,15,16).
What are the key properties of 3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 231.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 24711714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).