N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide

C19H29N3O — CID 109426874

IUPACN'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
SMILESCCN/C(=N\CCC1CC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-2-20-19(21-13-10-16-8-9-16)22-14-11-18(12-15-22)23-17-6-4-3-5-7-17/h3-7,16,18H,2,8-15H2,1H3,(H,20,21)
InChIKeyHWWOZIGZJBKLMU-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.30
Rot. Bonds6

About N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide

N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109426874) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
PubChem CID109426874
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
SMILESCCN/C(=N\CCC1CC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-2-20-19(21-13-10-16-8-9-16)22-14-11-18(12-15-22)23-17-6-4-3-5-7-17/h3-7,16,18H,2,8-15H2,1H3,(H,20,21)
InChIKeyHWWOZIGZJBKLMU-UHFFFAOYSA-N
XLogP3.30
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
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-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
CID 109427207
N'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
N'-[7-(dimethylamino)heptyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427634
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426561
N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427919
N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427283
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109426489
N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 109426946
N-ethyl-N'-(2-morpholin-4-ylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427606
N-ethyl-N'-[4-(4-methylpiperazin-1-yl)butyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426614
3-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109427886
N'-[2-(benzylsulfamoyl)ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426149

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide (CID 109426874) is N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide is CCN/C(=N\CCC1CC1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is HWWOZIGZJBKLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-20-19(21-13-10-16-8-9-16)22-14-11-18(12-15-22)23-17-6-4-3-5-7-17/h3-7,16,18H,2,8-15H2,1H3,(H,20,21).
What are the key properties of N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide?
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 315.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109426874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).