N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide

C14H27N3O2 — CID 110920781

IUPACN'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC(O)COCC2CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-11-4-6-17(7-5-11)14(15)16-8-13(18)10-19-9-12-2-3-12/h11-13,18H,2-10H2,1H3,(H2,15,16)
InChIKeyXFQUSPKYMFKHIC-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.82
Rot. Bonds6

About N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide

N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110920781) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110920781
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC(O)COCC2CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-11-4-6-17(7-5-11)14(15)16-8-13(18)10-19-9-12-2-3-12/h11-13,18H,2-10H2,1H3,(H2,15,16)
InChIKeyXFQUSPKYMFKHIC-UHFFFAOYSA-N
XLogP0.82
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.82
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'}

Analyze N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-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)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
CID 111154732
N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111800631
N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110921016
4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
1-(cyclopropylmethoxy)-3-methoxypropan-2-ol
CID 59975026
4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide
CID 110920562
4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide
CID 111465531
N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111210256
N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110928149
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-[2-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592

Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide (CID 110920781) is N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CC(O)COCC2CC2)CC1.
What is the InChIKey of N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is XFQUSPKYMFKHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11-4-6-17(7-5-11)14(15)16-8-13(18)10-19-9-12-2-3-12/h11-13,18H,2-10H2,1H3,(H2,15,16).
What are the key properties of N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide?
N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 269.39 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110920781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).