1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C14H29N3O — CID 107161726

IUPAC1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCCCCCCCN1CCC(C)(C(N)=NO)CC1
InChIInChI=1S/C14H29N3O/c1-3-4-5-6-7-10-17-11-8-14(2,9-12-17)13(15)16-18/h18H,3-12H2,1-2H3,(H2,15,16)
InChIKeyCEBJFOMIYAJZLA-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.81
Rot. Bonds7

About 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107161726) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107161726
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCCCCCCCN1CCC(C)(C(N)=NO)CC1
InChIInChI=1S/C14H29N3O/c1-3-4-5-6-7-10-17-11-8-14(2,9-12-17)13(15)16-18/h18H,3-12H2,1-2H3,(H2,15,16)
InChIKeyCEBJFOMIYAJZLA-UHFFFAOYSA-N
XLogP2.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-decyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161754
1-(3-ethylsulfonylpropyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161897
1-heptyl-4-methylpiperidine-4-carboximidamide
CID 107161963
4-methyl-1-nonylpiperidine-4-carboximidamide
CID 107162012
1-decyl-4-methylpiperidine-4-carboximidamide
CID 107162178
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
1-hexyl-4-methylpiperidin-4-amine
CID 142516140
1-hexyl-4,4-dimethylpiperidine
CID 18722930
N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide
CID 107161764
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
N'-hydroxy-1-pentylpiperidine-4-carboximidamide
CID 77038507
1-octylaziridine
CID 544653

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107161726) is 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide is CCCCCCCN1CCC(C)(C(N)=NO)CC1.
What is the InChIKey of 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is CEBJFOMIYAJZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-4-5-6-7-10-17-11-8-14(2,9-12-17)13(15)16-18/h18H,3-12H2,1-2H3,(H2,15,16).
What are the key properties of 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 255.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107161726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).