1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide

C12H23N3O — CID 103134708

IUPAC1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(CC2CCC(C)O2)C1
InChIInChI=1S/C12H23N3O/c1-9-4-5-11(16-9)8-15-6-2-3-10(7-15)12(13)14/h9-11H,2-8H2,1H3,(H3,13,14)
InChIKeyPEEXGJJZDLWSIN-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.20
Rot. Bonds3

About 1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide

1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide (PubChem CID 103134708) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide.

Molecular Properties

Compound Name1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide
PubChem CID103134708
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(CC2CCC(C)O2)C1
InChIInChI=1S/C12H23N3O/c1-9-4-5-11(16-9)8-15-6-2-3-10(7-15)12(13)14/h9-11H,2-8H2,1H3,(H3,13,14)
InChIKeyPEEXGJJZDLWSIN-UHFFFAOYSA-N
XLogP1.20
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.20
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

(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
CID 107225929
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
CID 102898330
1-methylpiperidine-3-carboximidamide
CID 42614742
(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
CID 103137660
1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide
CID 112640779
2-methyl-2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanethioamide
CID 103134287
3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane
CID 103141652
1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 103136020
2-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 103137712
4-bromo-3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidine
CID 103140046
3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid
CID 82838620
2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103137662

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide?
The IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide (CID 103134708) is 1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide.
What is the SMILES notation for 1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide?
The canonical SMILES for 1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(CC2CCC(C)O2)C1.
What is the InChIKey of 1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide?
The InChIKey is PEEXGJJZDLWSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-4-5-11(16-9)8-15-6-2-3-10(7-15)12(13)14/h9-11H,2-8H2,1H3,(H3,13,14).
What are the key properties of 1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide?
1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide has a molecular weight of 225.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide is sourced from PubChem (CID 103134708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).