N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide

C14H22N4 — CID 116512842

IUPACN-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide
SMILESCC1CC(C)CN(/C(=N/c2ccccc2)NN)C1
InChIInChI=1S/C14H22N4/c1-11-8-12(2)10-18(9-11)14(17-15)16-13-6-4-3-5-7-13/h3-7,11-12H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyUDJCXFCUBRDMAH-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.12
Rot. Bonds1

About N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide

N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide (PubChem CID 116512842) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide
PubChem CID116512842
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide
SMILESCC1CC(C)CN(/C(=N/c2ccccc2)NN)C1
InChIInChI=1S/C14H22N4/c1-11-8-12(2)10-18(9-11)14(17-15)16-13-6-4-3-5-7-13/h3-7,11-12H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyUDJCXFCUBRDMAH-UHFFFAOYSA-N
XLogP2.12
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide (CID 116512842) is N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide is CC1CC(C)CN(/C(=N/c2ccccc2)NN)C1.
What is the InChIKey of N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide?
The InChIKey is UDJCXFCUBRDMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-8-12(2)10-18(9-11)14(17-15)16-13-6-4-3-5-7-13/h3-7,11-12H,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide?
N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 116512842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).