N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide

C16H26N4 — CID 116515163

IUPACN-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide
SMILESCCC1(CC)CCN(/C(=N/c2ccccc2)NN)CC1
InChIInChI=1S/C16H26N4/c1-3-16(4-2)10-12-20(13-11-16)15(19-17)18-14-8-6-5-7-9-14/h5-9H,3-4,10-13,17H2,1-2H3,(H,18,19)
InChIKeyIZUQTPVJINFWHN-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.04
Rot. Bonds3

About N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide

N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide (PubChem CID 116515163) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide
PubChem CID116515163
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide
SMILESCCC1(CC)CCN(/C(=N/c2ccccc2)NN)CC1
InChIInChI=1S/C16H26N4/c1-3-16(4-2)10-12-20(13-11-16)15(19-17)18-14-8-6-5-7-9-14/h5-9H,3-4,10-13,17H2,1-2H3,(H,18,19)
InChIKeyIZUQTPVJINFWHN-UHFFFAOYSA-N
XLogP3.04
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.04
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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Related Compounds

N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide
CID 116512806
N-amino-N'-phenylazocane-1-carboximidamide
CID 116513037
N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide
CID 116512842
N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide
CID 116513179
N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide
CID 116515177
N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide
CID 116514824
N-amino-N'-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
CID 116513416
N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide
CID 116512916
3-(2-aminophenyl)-1-(4,4-diethylpiperidin-1-yl)propan-1-one
CID 63162343
N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline
CID 63503487
1,3-diamino-2-phenylguanidine;hydroiodide
CID 12727461
2-(4,4-diethylpiperidin-1-yl)benzoic acid
CID 63513477

Frequently Asked Questions

What is the IUPAC name of N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide (CID 116515163) is N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide is CCC1(CC)CCN(/C(=N/c2ccccc2)NN)CC1.
What is the InChIKey of N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide?
The InChIKey is IZUQTPVJINFWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-16(4-2)10-12-20(13-11-16)15(19-17)18-14-8-6-5-7-9-14/h5-9H,3-4,10-13,17H2,1-2H3,(H,18,19).
What are the key properties of N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide?
N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide has a molecular weight of 274.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 116515163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).