N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide

C13H25N3O — CID 111210675

IUPACN',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCC1CCCO1)N1CCC(C)CC1
InChIInChI=1S/C13H25N3O/c1-11-5-7-16(8-6-11)13(14-2)15-10-12-4-3-9-17-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyVPRGECKDDZRCOR-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.47
Rot. Bonds2

About N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide

N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide (PubChem CID 111210675) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide
PubChem CID111210675
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCC1CCCO1)N1CCC(C)CC1
InChIInChI=1S/C13H25N3O/c1-11-5-7-16(8-6-11)13(14-2)15-10-12-4-3-9-17-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyVPRGECKDDZRCOR-UHFFFAOYSA-N
XLogP1.47
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
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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Related Compounds

4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 111734647
methyl 1-[N'-methyl-N-(oxan-2-ylmethyl)carbamimidoyl]piperidine-4-carboxylate
CID 119131170
N'-methyl-N-(oxolan-2-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119144810
N'-methyl-N-(oxolan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427130
N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111211047
4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 95339170
N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111541157
ethyl 1-[N'-methyl-N-(oxolan-2-ylmethyl)carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994002
N'-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448407
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111302764
3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 111144242

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide (CID 111210675) is N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide is C/N=C(\NCC1CCCO1)N1CCC(C)CC1.
What is the InChIKey of N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is VPRGECKDDZRCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-5-7-16(8-6-11)13(14-2)15-10-12-4-3-9-17-12/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide?
N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 239.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111210675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).