1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen

C11H23N3 — CID 143870504

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen
SMILESCC(C)C1CCN(C2=NCCN2)CC1.[H][H]
InChIInChI=1S/C11H21N3.H2/c1-9(2)10-3-7-14(8-4-10)11-12-5-6-13-11;/h9-10H,3-8H2,1-2H3,(H,12,13);1H
InChIKeyCHNNFHSYKOMTJJ-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.56
Rot. Bonds1

About 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen

1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen (PubChem CID 143870504) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen
PubChem CID143870504
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen
SMILESCC(C)C1CCN(C2=NCCN2)CC1.[H][H]
InChIInChI=1S/C11H21N3.H2/c1-9(2)10-3-7-14(8-4-10)11-12-5-6-13-11;/h9-10H,3-8H2,1-2H3,(H,12,13);1H
InChIKeyCHNNFHSYKOMTJJ-UHFFFAOYSA-N
XLogP1.56
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 75425788
2-Methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472263
1-Ethyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109472265
1-[2-(3,5-Dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109472269
2-Methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472861
1-[2-(3,5-Dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109472867
1-Ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109473409
N',3-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-1-carboximidamide
CID 112017843
N-ethyl-3-methyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-1-carboximidamide
CID 112017847
N',3,5-trimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-1-carboximidamide
CID 112017923
N-ethyl-3,5-dimethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-1-carboximidamide
CID 112017945
N-ethyl-4-methyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]piperidine-1-carboximidamide
CID 112018307

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen (CID 143870504) is 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen is CC(C)C1CCN(C2=NCCN2)CC1.[H][H].
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen?
The InChIKey is CHNNFHSYKOMTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.H2/c1-9(2)10-3-7-14(8-4-10)11-12-5-6-13-11;/h9-10H,3-8H2,1-2H3,(H,12,13);1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen?
1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen has a molecular weight of 197.33 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine;molecular hydrogen is sourced from PubChem (CID 143870504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).