N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide

C19H29N3O — CID 134121786

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide
SMILESCC(C)(C)c1ccc(O)c(N/C(=N/C2CC2)N2CCCCC2)c1
InChIInChI=1S/C19H29N3O/c1-19(2,3)14-7-10-17(23)16(13-14)21-18(20-15-8-9-15)22-11-5-4-6-12-22/h7,10,13,15,23H,4-6,8-9,11-12H2,1-3H3,(H,20,21)
InChIKeyMXDUZDKZNQSRPI-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.11
Rot. Bonds2

About N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide

N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide (PubChem CID 134121786) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide
PubChem CID134121786
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide
SMILESCC(C)(C)c1ccc(O)c(N/C(=N/C2CC2)N2CCCCC2)c1
InChIInChI=1S/C19H29N3O/c1-19(2,3)14-7-10-17(23)16(13-14)21-18(20-15-8-9-15)22-11-5-4-6-12-22/h7,10,13,15,23H,4-6,8-9,11-12H2,1-3H3,(H,20,21)
InChIKeyMXDUZDKZNQSRPI-UHFFFAOYSA-N
XLogP4.11
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide
CID 134099665
N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 47021187
N'-cyclopropyl-N-phenylpiperidine-1-carboximidamide
CID 111024258
N-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 134088813
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
4-tert-butyl-2-(propan-2-ylamino)phenol
CID 23106838
N-(5-tert-butyl-2-hydroxyphenyl)-4-(2-hydroxyethyl)-N'-(thiophen-2-ylmethyl)piperazine-1-carboximidamide
CID 134088818
1-(5-tert-butyl-2-hydroxyphenyl)-3-cycloheptyl-2-(2-methoxyethyl)guanidine
CID 134091720
tert-butyl 3-[(2-hydroxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84555372
N-(5-tert-butyl-2-hydroxyphenyl)-N'-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 134091721
N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27672888
N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide
CID 31031780

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide (CID 134121786) is N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide is CC(C)(C)c1ccc(O)c(N/C(=N/C2CC2)N2CCCCC2)c1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide?
The InChIKey is MXDUZDKZNQSRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-19(2,3)14-7-10-17(23)16(13-14)21-18(20-15-8-9-15)22-11-5-4-6-12-22/h7,10,13,15,23H,4-6,8-9,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide?
N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide has a molecular weight of 315.46 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide is sourced from PubChem (CID 134121786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).