N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide

C17H27N3O2 — CID 110018572

IUPACN'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
SMILESOCCOCCC/N=C(/Nc1ccccc1)N1CCCCC1
InChIInChI=1S/C17H27N3O2/c21-13-15-22-14-7-10-18-17(20-11-5-2-6-12-20)19-16-8-3-1-4-9-16/h1,3-4,8-9,21H,2,5-7,10-15H2,(H,18,19)
InChIKeyPHCFZUHOVDSTAO-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.34
Rot. Bonds7

About N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide

N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide (PubChem CID 110018572) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
PubChem CID110018572
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
SMILESOCCOCCC/N=C(/Nc1ccccc1)N1CCCCC1
InChIInChI=1S/C17H27N3O2/c21-13-15-22-14-7-10-18-17(20-11-5-2-6-12-20)19-16-8-3-1-4-9-16/h1,3-4,8-9,21H,2,5-7,10-15H2,(H,18,19)
InChIKeyPHCFZUHOVDSTAO-UHFFFAOYSA-N
XLogP2.34
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.34
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'}

Analyze N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
CID 111035250
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
N-[3-[[anilino(piperidin-1-yl)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094094
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide
CID 111097205
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119119073
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213
propan-2-yl 3-[[anilino(piperidin-1-yl)methylidene]amino]propanoate
CID 111037118
N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide
CID 110018616
N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111024708
N'-[2-(4-methylsulfonylphenoxy)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111804994
N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 119147661

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide?
The IUPAC name of N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide (CID 110018572) is N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide is OCCOCCC/N=C(/Nc1ccccc1)N1CCCCC1.
What is the InChIKey of N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide?
The InChIKey is PHCFZUHOVDSTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c21-13-15-22-14-7-10-18-17(20-11-5-2-6-12-20)19-16-8-3-1-4-9-16/h1,3-4,8-9,21H,2,5-7,10-15H2,(H,18,19).
What are the key properties of N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide?
N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide has a molecular weight of 305.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 110018572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).