4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide

C15H21N3 — CID 66647364

IUPAC4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide
SMILESC=CC/N=C(\N)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H21N3/c1-2-10-17-15(16)18-11-8-14(9-12-18)13-6-4-3-5-7-13/h2-7,14H,1,8-12H2,(H2,16,17)
InChIKeyPDEKHPXSFSYVHI-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.37
Rot. Bonds3

About 4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide

4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide (PubChem CID 66647364) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide
PubChem CID66647364
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide
SMILESC=CC/N=C(\N)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H21N3/c1-2-10-17-15(16)18-11-8-14(9-12-18)13-6-4-3-5-7-13/h2-7,14H,1,8-12H2,(H2,16,17)
InChIKeyPDEKHPXSFSYVHI-UHFFFAOYSA-N
XLogP2.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N',4-diphenylpiperidine-1-carboximidamide
CID 70452820
N'-methyl-3-phenyl-N-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722886
4-(4-phenylphenyl)piperidine-1-carboxamide
CID 173092095
3,3-dimethyl-1-(4-phenylpiperidin-1-yl)pent-4-en-1-one
CID 72708672
2,2-dimethyl-1-(4-phenylpiperidin-1-yl)but-3-en-1-one
CID 139215922
(3R)-3-phenyl-1-prop-2-enylpyrrolidine
CID 1414729
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
2-[4-(1-prop-2-enoxycarbonylpiperidin-4-yl)phenyl]acetic acid
CID 166000959
N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide
CID 163604267
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111075066

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide?
The IUPAC name of 4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide (CID 66647364) is 4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide?
The canonical SMILES for 4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide is C=CC/N=C(\N)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide?
The InChIKey is PDEKHPXSFSYVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-10-17-15(16)18-11-8-14(9-12-18)13-6-4-3-5-7-13/h2-7,14H,1,8-12H2,(H2,16,17).
What are the key properties of 4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide?
4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide has a molecular weight of 243.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide is sourced from PubChem (CID 66647364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).