N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide

C17H24BrN3O — CID 111321640

IUPACN-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide
SMILESCC/N=C(/NC1CC1c1ccc(Br)cc1)N1CCC(O)CC1
InChIInChI=1S/C17H24BrN3O/c1-2-19-17(21-9-7-14(22)8-10-21)20-16-11-15(16)12-3-5-13(18)6-4-12/h3-6,14-16,22H,2,7-11H2,1H3,(H,19,20)
InChIKeyDWKXSEHBIXBOOR-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.73
Rot. Bonds3

About N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide

N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide (PubChem CID 111321640) has the molecular formula C17H24BrN3O and a molecular weight of 366.30 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide
PubChem CID111321640
Molecular FormulaC17H24BrN3O
Molecular Weight366.30 g/mol
Exact Mass365.11
IUPAC NameN-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide
SMILESCC/N=C(/NC1CC1c1ccc(Br)cc1)N1CCC(O)CC1
InChIInChI=1S/C17H24BrN3O/c1-2-19-17(21-9-7-14(22)8-10-21)20-16-11-15(16)12-3-5-13(18)6-4-12/h3-6,14-16,22H,2,7-11H2,1H3,(H,19,20)
InChIKeyDWKXSEHBIXBOOR-UHFFFAOYSA-N
XLogP2.73
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.73
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

N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207651
N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 110956792
N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725788
1-[2-(4-bromophenyl)cyclopropyl]-2,3-dimethylguanidine
CID 110927984
1-[2-(4-bromophenyl)cyclopropyl]-2-butylguanidine
CID 111096189
N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111770663
tert-butyl N-[1-[N'-ethyl-N-(2-phenylcyclopropyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730451
1-[2-(4-bromophenyl)cyclopropyl]-2-ethyl-3-(3-ethylsulfinylcyclohexyl)guanidine;hydroiodide
CID 109438530
3-[2-(4-bromophenyl)cyclopropyl]-1-butyl-1,2-dimethylguanidine;hydroiodide
CID 111159276
1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide
CID 111150909
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111346441
1-[2-(4-bromophenyl)cyclopropyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110975421

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide?
The IUPAC name of N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide (CID 111321640) is N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide is CC/N=C(/NC1CC1c1ccc(Br)cc1)N1CCC(O)CC1.
What is the InChIKey of N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide?
The InChIKey is DWKXSEHBIXBOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O/c1-2-19-17(21-9-7-14(22)8-10-21)20-16-11-15(16)12-3-5-13(18)6-4-12/h3-6,14-16,22H,2,7-11H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide?
N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide has a molecular weight of 366.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide is sourced from PubChem (CID 111321640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).