N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide

C16H25N3O2 — CID 111058030

IUPACN'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide
SMILESN/C(=N\CC(O)COCc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H25N3O2/c17-16(19-9-5-2-6-10-19)18-11-15(20)13-21-12-14-7-3-1-4-8-14/h1,3-4,7-8,15,20H,2,5-6,9-13H2,(H2,17,18)
InChIKeyRBJNFWFNTGHGLT-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.36
Rot. Bonds6

About N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide

N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide (PubChem CID 111058030) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide
PubChem CID111058030
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide
SMILESN/C(=N\CC(O)COCc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H25N3O2/c17-16(19-9-5-2-6-10-19)18-11-15(20)13-21-12-14-7-3-1-4-8-14/h1,3-4,7-8,15,20H,2,5-6,9-13H2,(H2,17,18)
InChIKeyRBJNFWFNTGHGLT-UHFFFAOYSA-N
XLogP1.36
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111058029
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide
CID 110920562
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide
CID 110936903
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111799996
N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111043639
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
benzyl 5-[[amino(azepan-1-yl)methylidene]amino]pentanoate;hydroiodide
CID 110028871

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide (CID 111058030) is N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide is N/C(=N\CC(O)COCc1ccccc1)N1CCCCC1.
What is the InChIKey of N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide?
The InChIKey is RBJNFWFNTGHGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-16(19-9-5-2-6-10-19)18-11-15(20)13-21-12-14-7-3-1-4-8-14/h1,3-4,7-8,15,20H,2,5-6,9-13H2,(H2,17,18).
What are the key properties of N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide?
N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide has a molecular weight of 291.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111058030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).