1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile

C19H24N4O — CID 77079767

IUPAC1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile
SMILESCOCCn1ccnc1CN1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C19H24N4O/c1-24-14-13-23-12-9-21-18(23)15-22-10-7-19(16-20,8-11-22)17-5-3-2-4-6-17/h2-6,9,12H,7-8,10-11,13-15H2,1H3
InChIKeyGWYAOTVVSNQSJA-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.59
Rot. Bonds6

About 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile

1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 77079767) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID77079767
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile
SMILESCOCCn1ccnc1CN1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C19H24N4O/c1-24-14-13-23-12-9-21-18(23)15-22-10-7-19(16-20,8-11-22)17-5-3-2-4-6-17/h2-6,9,12H,7-8,10-11,13-15H2,1H3
InChIKeyGWYAOTVVSNQSJA-UHFFFAOYSA-N
XLogP2.59
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Methyl-1H-imidazol-1-yl)-2,2-diphenylbutanenitrile
CID 10000966
1-[1-[3-(4-Phenylphenyl)propyl]imidazol-2-yl]ethanol
CID 142479432
ethyl 4-(1-(cyclohexylmethyl)-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 44432615
(E)-ethyl 4-(1-cinnamyl-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 44432616
1-[3-(2-Methylimidazol-1-yl)propyl]-3-phenylpiperidine
CID 45932012
Fenapanil
CID 43523
1-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-N-(2-phenylethyl)-3-piperidinamine
CID 45175611
N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)-3-piperidinamine
CID 45245565
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)-3-piperidinamine
CID 45188161
[1-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-(3-phenylpropyl)-3-piperidinyl]methanol
CID 45200801
N-methyl-1-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(2-phenylethyl)-3-piperidinamine
CID 45228567
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)-3-piperidinamine
CID 45240208

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile (CID 77079767) is 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile is COCCn1ccnc1CN1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is GWYAOTVVSNQSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-24-14-13-23-12-9-21-18(23)15-22-10-7-19(16-20,8-11-22)17-5-3-2-4-6-17/h2-6,9,12H,7-8,10-11,13-15H2,1H3.
What are the key properties of 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile?
1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 77079767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).