N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide

C20H30ClN3 — CID 44890377

IUPACN-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide
SMILESCC1CCCC(C)N1/C(=N\C1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H30ClN3/c1-15-7-6-8-16(2)24(15)20(22-18-9-4-3-5-10-18)23-19-13-11-17(21)12-14-19/h11-16,18H,3-10H2,1-2H3,(H,22,23)
InChIKeyFEXUZVCHLBWNMN-UHFFFAOYSA-N
MW347.93 g/mol
LogP5.70
Rot. Bonds2

About N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide

N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide (PubChem CID 44890377) has the molecular formula C20H30ClN3 and a molecular weight of 347.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide
PubChem CID44890377
Molecular FormulaC20H30ClN3
Molecular Weight347.93 g/mol
Exact Mass347.21
IUPAC NameN-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide
SMILESCC1CCCC(C)N1/C(=N\C1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H30ClN3/c1-15-7-6-8-16(2)24(15)20(22-18-9-4-3-5-10-18)23-19-13-11-17(21)12-14-19/h11-16,18H,3-10H2,1-2H3,(H,22,23)
InChIKeyFEXUZVCHLBWNMN-UHFFFAOYSA-N
XLogP5.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.93
LogP ≤ 55.70
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'}

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Related Compounds

(2S,6S)-N-(4-chlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 40642609
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
CID 116512323
N-(4-chlorophenyl)-2-methylazepane-1-carbothioamide
CID 78962558
3-(4-chlorophenyl)-3-[4-[[N-cyclohexyl-C-(3,5-dimethylpiperazin-1-yl)carbonimidoyl]amino]phenyl]propanamide
CID 68891505
N-(4-chlorophenyl)-2-[(2,6-dimethylpiperidin-1-yl)amino]acetamide
CID 83021450
N'-cyclopropyl-N-phenylpiperidine-1-carboximidamide
CID 111024258
N-(2,5-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 19654001
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 7429786
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
(2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 40642543
2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
CID 14746266
(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 93056889

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide (CID 44890377) is N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide is CC1CCCC(C)N1/C(=N\C1CCCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide?
The InChIKey is FEXUZVCHLBWNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3/c1-15-7-6-8-16(2)24(15)20(22-18-9-4-3-5-10-18)23-19-13-11-17(21)12-14-19/h11-16,18H,3-10H2,1-2H3,(H,22,23).
What are the key properties of N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide?
N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide has a molecular weight of 347.93 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-cyclohexyl-2,6-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 44890377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).