1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine

C21H29N3 — CID 90494159

IUPAC1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
SMILESCC(C)c1nccn1CC1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H29N3/c1-18(2)21-22-12-16-24(21)17-20-10-14-23(15-11-20)13-6-9-19-7-4-3-5-8-19/h3-9,12,16,18,20H,10-11,13-15,17H2,1-2H3/b9-6+
InChIKeyGTSKCKYFSSHADN-RMKNXTFCSA-N
MW323.48 g/mol
LogP4.43
Rot. Bonds6

About 1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine

1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine (PubChem CID 90494159) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
PubChem CID90494159
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
SMILESCC(C)c1nccn1CC1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H29N3/c1-18(2)21-22-12-16-24(21)17-20-10-14-23(15-11-20)13-6-9-19-7-4-3-5-8-19/h3-9,12,16,18,20H,10-11,13-15,17H2,1-2H3/b9-6+
InChIKeyGTSKCKYFSSHADN-RMKNXTFCSA-N
XLogP4.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561202
1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494260
1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494169
1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 90492830
1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494392
2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172902469
1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one
CID 74376083
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 2846660
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate
CID 90494265
2-cyclopropyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110414400

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine (CID 90494159) is 1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine is CC(C)c1nccn1CC1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The InChIKey is GTSKCKYFSSHADN-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H29N3/c1-18(2)21-22-12-16-24(21)17-20-10-14-23(15-11-20)13-6-9-19-7-4-3-5-8-19/h3-9,12,16,18,20H,10-11,13-15,17H2,1-2H3/b9-6+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine has a molecular weight of 323.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 90494159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).