N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide

C14H27N3O — CID 75534715

IUPACN',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide
SMILESC/N=C(\NC(C)C1CCCO1)N1CCC(C)CC1
InChIInChI=1S/C14H27N3O/c1-11-6-8-17(9-7-11)14(15-3)16-12(2)13-5-4-10-18-13/h11-13H,4-10H2,1-3H3,(H,15,16)
InChIKeyJPVURKBQWCRFLG-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.86
Rot. Bonds2

About N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide

N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide (PubChem CID 75534715) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide
PubChem CID75534715
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide
SMILESC/N=C(\NC(C)C1CCCO1)N1CCC(C)CC1
InChIInChI=1S/C14H27N3O/c1-11-6-8-17(9-7-11)14(15-3)16-12(2)13-5-4-10-18-13/h11-13H,4-10H2,1-3H3,(H,15,16)
InChIKeyJPVURKBQWCRFLG-UHFFFAOYSA-N
XLogP1.86
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide (CID 75534715) is N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide is C/N=C(\NC(C)C1CCCO1)N1CCC(C)CC1.
What is the InChIKey of N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide?
The InChIKey is JPVURKBQWCRFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-6-8-17(9-7-11)14(15-3)16-12(2)13-5-4-10-18-13/h11-13H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide?
N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide has a molecular weight of 253.39 g/mol, XLogP of 1.86, 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-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 75534715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).