(2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine

C18H26N4 — CID 124752379

IUPAC(2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine
SMILESCCCn1ccnc1CN1CCN(c2ccccc2)C[C@H]1C
InChIInChI=1S/C18H26N4/c1-3-10-20-11-9-19-18(20)15-21-12-13-22(14-16(21)2)17-7-5-4-6-8-17/h4-9,11,16H,3,10,12-15H2,1-2H3/t16-/m1/s1
InChIKeyJJARYQQKRMCOSC-MRXNPFEDSA-N
MW298.43 g/mol
LogP3.00
Rot. Bonds5

About (2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine

(2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine (PubChem CID 124752379) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is (2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine
PubChem CID124752379
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name(2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine
SMILESCCCn1ccnc1CN1CCN(c2ccccc2)C[C@H]1C
InChIInChI=1S/C18H26N4/c1-3-10-20-11-9-19-18(20)15-21-12-13-22(14-16(21)2)17-7-5-4-6-8-17/h4-9,11,16H,3,10,12-15H2,1-2H3/t16-/m1/s1
InChIKeyJJARYQQKRMCOSC-MRXNPFEDSA-N
XLogP3.00
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine
CID 150779486
4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
CID 56710534
(2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124741311
2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine
CID 131939868
1-(2-cyclohexylethyl)-2-methyl-4-phenylpiperazine
CID 167218455
1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine
CID 56883312
2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 154747883
(2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine
CID 97254315
1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
CID 79761213
(2S)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine
CID 97254316
(4aR,7aS)-4-[(1-ethylimidazol-2-yl)methyl]-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70744632

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine?
The IUPAC name of (2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine (CID 124752379) is (2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for (2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for (2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine is CCCn1ccnc1CN1CCN(c2ccccc2)C[C@H]1C.
What is the InChIKey of (2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine?
The InChIKey is JJARYQQKRMCOSC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4/c1-3-10-20-11-9-19-18(20)15-21-12-13-22(14-16(21)2)17-7-5-4-6-8-17/h4-9,11,16H,3,10,12-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine?
(2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine has a molecular weight of 298.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 124752379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).