4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide

C16H25N3 — CID 103496232

IUPAC4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCC(C(C)C)CC1
InChIInChI=1S/C16H25N3/c1-11(2)13-6-8-19(9-7-13)15-10-12(3)4-5-14(15)16(17)18/h4-5,10-11,13H,6-9H2,1-3H3,(H3,17,18)
InChIKeyNFJHHPKUWLHGLT-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.15
Rot. Bonds3

About 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide

4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 103496232) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
PubChem CID103496232
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCC(C(C)C)CC1
InChIInChI=1S/C16H25N3/c1-11(2)13-6-8-19(9-7-13)15-10-12(3)4-5-14(15)16(17)18/h4-5,10-11,13H,6-9H2,1-3H3,(H3,17,18)
InChIKeyNFJHHPKUWLHGLT-UHFFFAOYSA-N
XLogP3.15
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.15
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

5-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 107930632
4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496258
2-(azepan-1-yl)-4-methylbenzenecarboximidamide
CID 55057394
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylbenzenecarboximidamide
CID 113335752
2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide
CID 62937438
4-methyl-2-(1,4-oxazepan-4-yl)benzenecarboximidamide
CID 62973944
4-chloro-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625770
5-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarbothioamide
CID 107929367
4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 62306922
4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 63609906
2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide
CID 62309167
2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide
CID 81202892

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide (CID 103496232) is 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N1CCC(C(C)C)CC1.
What is the InChIKey of 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is NFJHHPKUWLHGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11(2)13-6-8-19(9-7-13)15-10-12(3)4-5-14(15)16(17)18/h4-5,10-11,13H,6-9H2,1-3H3,(H3,17,18).
What are the key properties of 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide?
4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 259.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 103496232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).