1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine

C18H28N6O — CID 1432518

IUPAC1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine
SMILESCOc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H28N6O/c1-14(2)17(23-11-9-22(3)10-12-23)18-19-20-21-24(18)13-15-5-7-16(25-4)8-6-15/h5-8,14,17H,9-13H2,1-4H3/t17-/m0/s1
InChIKeyMMEHLEYKIAOWSW-KRWDZBQOSA-N
MW344.46 g/mol
LogP1.67
Rot. Bonds6

About 1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine

1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine (PubChem CID 1432518) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine
PubChem CID1432518
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine
SMILESCOc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H28N6O/c1-14(2)17(23-11-9-22(3)10-12-23)18-19-20-21-24(18)13-15-5-7-16(25-4)8-6-15/h5-8,14,17H,9-13H2,1-4H3/t17-/m0/s1
InChIKeyMMEHLEYKIAOWSW-KRWDZBQOSA-N
XLogP1.67
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
CID 1446788
1-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-(4-methoxyphenyl)piperazine
CID 1446489
1-cyclohexyl-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
CID 1446772
1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433889
1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433890
N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085288
1-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
CID 1446486
1-[(S)-(2,5-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
CID 7383122
1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 3721618
4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]morpholine
CID 3823345
3-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1159401
1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-methylpiperazine
CID 3209809

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine?
The IUPAC name of 1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine (CID 1432518) is 1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine is COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine?
The InChIKey is MMEHLEYKIAOWSW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N6O/c1-14(2)17(23-11-9-22(3)10-12-23)18-19-20-21-24(18)13-15-5-7-16(25-4)8-6-15/h5-8,14,17H,9-13H2,1-4H3/t17-/m0/s1.
What are the key properties of 1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine?
1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine has a molecular weight of 344.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine is sourced from PubChem (CID 1432518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).