N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide

C17H27N3 — CID 111210681

IUPACN',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCCc1ccccc1)N1CCC(C)CC1
InChIInChI=1S/C17H27N3/c1-15-10-13-20(14-11-15)17(18-2)19-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,18,19)
InChIKeyNYNBASFIYSNKJW-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.93
Rot. Bonds4

About N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide

N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide (PubChem CID 111210681) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
PubChem CID111210681
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCCc1ccccc1)N1CCC(C)CC1
InChIInChI=1S/C17H27N3/c1-15-10-13-20(14-11-15)17(18-2)19-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,18,19)
InChIKeyNYNBASFIYSNKJW-UHFFFAOYSA-N
XLogP2.93
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
N'-methyl-4-phenoxy-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 109427767
N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111724300
N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide
CID 110935446
N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111210597
N-benzyl-3-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111209903
N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
CID 111211399
N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide
CID 111153799
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743374
N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211789
N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide
CID 111210589
N',4-dimethyl-N-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111209976

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide (CID 111210681) is N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide is C/N=C(\NCCCc1ccccc1)N1CCC(C)CC1.
What is the InChIKey of N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide?
The InChIKey is NYNBASFIYSNKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-15-10-13-20(14-11-15)17(18-2)19-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,18,19).
What are the key properties of N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide?
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide has a molecular weight of 273.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111210681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).