N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide

C12H23N3O — CID 114679003

IUPACN'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide
SMILESCC1CN(/C(N)=N/C2CCCC2)CCC1O
InChIInChI=1S/C12H23N3O/c1-9-8-15(7-6-11(9)16)12(13)14-10-4-2-3-5-10/h9-11,16H,2-8H2,1H3,(H2,13,14)
InChIKeyBIATXVWIVGDCCR-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.95
Rot. Bonds1

About N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide

N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide (PubChem CID 114679003) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide
PubChem CID114679003
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide
SMILESCC1CN(/C(N)=N/C2CCCC2)CCC1O
InChIInChI=1S/C12H23N3O/c1-9-8-15(7-6-11(9)16)12(13)14-10-4-2-3-5-10/h9-11,16H,2-8H2,1H3,(H2,13,14)
InChIKeyBIATXVWIVGDCCR-UHFFFAOYSA-N
XLogP0.95
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.95
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide (CID 114679003) is N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide is CC1CN(/C(N)=N/C2CCCC2)CCC1O.
What is the InChIKey of N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide?
The InChIKey is BIATXVWIVGDCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-8-15(7-6-11(9)16)12(13)14-10-4-2-3-5-10/h9-11,16H,2-8H2,1H3,(H2,13,14).
What are the key properties of N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide?
N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide has a molecular weight of 225.34 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-4-hydroxy-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 114679003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).