N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide

C21H35N5 — CID 111210597

IUPACN',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCCCN1CCN(c2ccccc2)CC1)N1CCC(C)CC1
InChIInChI=1S/C21H35N5/c1-19-9-13-26(14-10-19)21(22-2)23-11-6-12-24-15-17-25(18-16-24)20-7-4-3-5-8-20/h3-5,7-8,19H,6,9-18H2,1-2H3,(H,22,23)
InChIKeyXAWAAEYCUXPYPQ-UHFFFAOYSA-N
MW357.55 g/mol
LogP2.51
Rot. Bonds5

About N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide

N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide (PubChem CID 111210597) has the molecular formula C21H35N5 and a molecular weight of 357.55 g/mol. Its IUPAC name is N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
PubChem CID111210597
Molecular FormulaC21H35N5
Molecular Weight357.55 g/mol
Exact Mass357.29
IUPAC NameN',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCCCN1CCN(c2ccccc2)CC1)N1CCC(C)CC1
InChIInChI=1S/C21H35N5/c1-19-9-13-26(14-10-19)21(22-2)23-11-6-12-24-15-17-25(18-16-24)20-7-4-3-5-8-20/h3-5,7-8,19H,6,9-18H2,1-2H3,(H,22,23)
InChIKeyXAWAAEYCUXPYPQ-UHFFFAOYSA-N
XLogP2.51
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210034
methyl 1-[N'-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]piperidine-4-carboxylate
CID 111252989
N',4-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211910
3-(methoxymethyl)-N'-methyl-N-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolidine-1-carboximidamide
CID 111737653
4-(3-methoxyphenyl)-N'-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperazine-1-carboximidamide
CID 111290223
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
1-(cyclopropylmethyl)-2-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111869271
N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 110921127
N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961274
2-methyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111415389
N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide
CID 111210589

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide (CID 111210597) is N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide is C/N=C(/NCCCN1CCN(c2ccccc2)CC1)N1CCC(C)CC1.
What is the InChIKey of N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
The InChIKey is XAWAAEYCUXPYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5/c1-19-9-13-26(14-10-19)21(22-2)23-11-6-12-24-15-17-25(18-16-24)20-7-4-3-5-8-20/h3-5,7-8,19H,6,9-18H2,1-2H3,(H,22,23).
What are the key properties of N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 357.55 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111210597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).