N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide

C15H24N4O — CID 116514824

IUPACN-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide
SMILESCCCOC1CCCN(/C(=N/c2ccccc2)NN)C1
InChIInChI=1S/C15H24N4O/c1-2-11-20-14-9-6-10-19(12-14)15(18-16)17-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12,16H2,1H3,(H,17,18)
InChIKeyXCTBKYIVDOBZFN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.03
Rot. Bonds4

About N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide

N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide (PubChem CID 116514824) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide
PubChem CID116514824
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide
SMILESCCCOC1CCCN(/C(=N/c2ccccc2)NN)C1
InChIInChI=1S/C15H24N4O/c1-2-11-20-14-9-6-10-19(12-14)15(18-16)17-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12,16H2,1H3,(H,17,18)
InChIKeyXCTBKYIVDOBZFN-UHFFFAOYSA-N
XLogP2.03
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
CID 116513416
N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide
CID 116515177
2-phenylsulfanyl-1-(3-propoxypiperidin-1-yl)ethanone
CID 91786439
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide
CID 116515163
3-propoxy-N'-propylpiperidine-1-carboximidamide
CID 62362576
[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95179553
(3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide
CID 97453314
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(2S)-2-phenyl-2-[(3R)-3-propoxypiperidin-1-yl]acetamide
CID 94215510

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide (CID 116514824) is N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide is CCCOC1CCCN(/C(=N/c2ccccc2)NN)C1.
What is the InChIKey of N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide?
The InChIKey is XCTBKYIVDOBZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-11-20-14-9-6-10-19(12-14)15(18-16)17-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12,16H2,1H3,(H,17,18).
What are the key properties of N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide?
N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide has a molecular weight of 276.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide is sourced from PubChem (CID 116514824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).