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

C10H21N3O — CID 77041248

IUPACN'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide
SMILESCC(C)CN1CCCC(C(N)=NO)C1
InChIInChI=1S/C10H21N3O/c1-8(2)6-13-5-3-4-9(7-13)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyHOMJOTNJVPCSEE-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.10
Rot. Bonds3

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

N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide (PubChem CID 77041248) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide
PubChem CID77041248
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide
SMILESCC(C)CN1CCCC(C(N)=NO)C1
InChIInChI=1S/C10H21N3O/c1-8(2)6-13-5-3-4-9(7-13)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyHOMJOTNJVPCSEE-UHFFFAOYSA-N
XLogP1.10
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.10
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide
CID 77041359
(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832
N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 77038741
1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide
CID 106725367
(3S)-3-fluoro-1-(2-methylpropyl)piperidine
CID 130368506
N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide
CID 77041469
1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041761
1-[(2-chlorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041309
[2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 126790046
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286
3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 43584570
1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041256

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide (CID 77041248) is N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide is CC(C)CN1CCCC(C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide?
The InChIKey is HOMJOTNJVPCSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)6-13-5-3-4-9(7-13)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide is sourced from PubChem (CID 77041248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).