N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide

C12H23N5O — CID 118137254

IUPACN-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide
SMILES[H]/N=C(\N1CCCCC1)N(C)/C(=N/[H])N1CCOCC1
InChIInChI=1S/C12H23N5O/c1-15(11(13)16-5-3-2-4-6-16)12(14)17-7-9-18-10-8-17/h13-14H,2-10H2,1H3/b13-11-,14-12-
InChIKeyUMTSAKPHXYAXTM-XSYHWHKQSA-N
MW253.35 g/mol
LogP0.61
Rot. Bonds

About N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide

N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide (PubChem CID 118137254) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide
PubChem CID118137254
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide
SMILES[H]/N=C(\N1CCCCC1)N(C)/C(=N/[H])N1CCOCC1
InChIInChI=1S/C12H23N5O/c1-15(11(13)16-5-3-2-4-6-16)12(14)17-7-9-18-10-8-17/h13-14H,2-10H2,1H3/b13-11-,14-12-
InChIKeyUMTSAKPHXYAXTM-XSYHWHKQSA-N
XLogP0.61
TPSA66.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.61
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide?
The IUPAC name of N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide (CID 118137254) is N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide?
The canonical SMILES for N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide is [H]/N=C(\N1CCCCC1)N(C)/C(=N/[H])N1CCOCC1.
What is the InChIKey of N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide?
The InChIKey is UMTSAKPHXYAXTM-XSYHWHKQSA-N. The full InChI is InChI=1S/C12H23N5O/c1-15(11(13)16-5-3-2-4-6-16)12(14)17-7-9-18-10-8-17/h13-14H,2-10H2,1H3/b13-11-,14-12-.
What are the key properties of N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide?
N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide has a molecular weight of 253.35 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide is sourced from PubChem (CID 118137254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).