N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide

C22H37N5 — CID 111211763

IUPACN',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCCCN1CCN(C)CC1c1ccccc1)N1CCC(C)CC1
InChIInChI=1S/C22H37N5/c1-19-10-14-27(15-11-19)22(23-2)24-12-7-13-26-17-16-25(3)18-21(26)20-8-5-4-6-9-20/h4-6,8-9,19,21H,7,10-18H2,1-3H3,(H,23,24)
InChIKeyZCFVJSPTMHQWKN-UHFFFAOYSA-N
MW371.57 g/mol
LogP2.67
Rot. Bonds5

About N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide

N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide (PubChem CID 111211763) has the molecular formula C22H37N5 and a molecular weight of 371.57 g/mol. Its IUPAC name is N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
PubChem CID111211763
Molecular FormulaC22H37N5
Molecular Weight371.57 g/mol
Exact Mass371.30
IUPAC NameN',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCCCN1CCN(C)CC1c1ccccc1)N1CCC(C)CC1
InChIInChI=1S/C22H37N5/c1-19-10-14-27(15-11-19)22(23-2)24-12-7-13-26-17-16-25(3)18-21(26)20-8-5-4-6-9-20/h4-6,8-9,19,21H,7,10-18H2,1-3H3,(H,23,24)
InChIKeyZCFVJSPTMHQWKN-UHFFFAOYSA-N
XLogP2.67
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 52.67
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'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742705
1-ethyl-3-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-propylguanidine
CID 111226835
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
2-methyl-1-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111904659
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]guanidine
CID 111606643
N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111210597
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
1-[(3-fluorophenyl)methyl]-2-methyl-3-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]guanidine
CID 111876579
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111340038
(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
CID 124813932

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide (CID 111211763) is N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide is C/N=C(/NCCCN1CCN(C)CC1c1ccccc1)N1CCC(C)CC1.
What is the InChIKey of N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
The InChIKey is ZCFVJSPTMHQWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5/c1-19-10-14-27(15-11-19)22(23-2)24-12-7-13-26-17-16-25(3)18-21(26)20-8-5-4-6-9-20/h4-6,8-9,19,21H,7,10-18H2,1-3H3,(H,23,24).
What are the key properties of N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 371.57 g/mol, XLogP of 2.67, 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-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111211763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).