N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide

C19H31N3O — CID 111211183

IUPACN',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCCc1ccc(OC(C)C)cc1)N1CCC(C)CC1
InChIInChI=1S/C19H31N3O/c1-15(2)23-18-7-5-17(6-8-18)9-12-21-19(20-4)22-13-10-16(3)11-14-22/h5-8,15-16H,9-14H2,1-4H3,(H,20,21)
InChIKeySYCQZDDTZAESDF-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.32
Rot. Bonds5

About N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide

N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide (PubChem CID 111211183) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide
PubChem CID111211183
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCCc1ccc(OC(C)C)cc1)N1CCC(C)CC1
InChIInChI=1S/C19H31N3O/c1-15(2)23-18-7-5-17(6-8-18)9-12-21-19(20-4)22-13-10-16(3)11-14-22/h5-8,15-16H,9-14H2,1-4H3,(H,20,21)
InChIKeySYCQZDDTZAESDF-UHFFFAOYSA-N
XLogP3.32
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
4-(2-hydroxyphenyl)-N'-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111184585
1-(cyclopropylmethyl)-2-methyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111868718
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896048
N-[(4-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210992
N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
CID 111211399
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212040
2-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915012
2-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-3-propylguanidine
CID 111227199
2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54807291
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211357

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide (CID 111211183) is N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide is C/N=C(\NCCc1ccc(OC(C)C)cc1)N1CCC(C)CC1.
What is the InChIKey of N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide?
The InChIKey is SYCQZDDTZAESDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15(2)23-18-7-5-17(6-8-18)9-12-21-19(20-4)22-13-10-16(3)11-14-22/h5-8,15-16H,9-14H2,1-4H3,(H,20,21).
What are the key properties of N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide?
N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide has a molecular weight of 317.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111211183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).