1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine

C17H26N6O — CID 154929747

IUPAC1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine
SMILESCCCCn1nnnc1N1CCN(c2ccccc2OC)CC1C
InChIInChI=1S/C17H26N6O/c1-4-5-10-23-17(18-19-20-23)22-12-11-21(13-14(22)2)15-8-6-7-9-16(15)24-3/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyKRINCXPZZACDBW-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.20
Rot. Bonds6

About 1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine

1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine (PubChem CID 154929747) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine
PubChem CID154929747
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine
SMILESCCCCn1nnnc1N1CCN(c2ccccc2OC)CC1C
InChIInChI=1S/C17H26N6O/c1-4-5-10-23-17(18-19-20-23)22-12-11-21(13-14(22)2)15-8-6-7-9-16(15)24-3/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyKRINCXPZZACDBW-UHFFFAOYSA-N
XLogP2.20
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
CID 163911582
4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine
CID 72871640
1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine
CID 56909683
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018
1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
CID 51685935
1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95870124
1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 7388443
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
CID 3208678
1-(2-methoxyphenyl)-4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 43818141
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine
CID 4725803
8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane
CID 142573439

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine?
The IUPAC name of 1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine (CID 154929747) is 1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine.
What is the SMILES notation for 1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine?
The canonical SMILES for 1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine is CCCCn1nnnc1N1CCN(c2ccccc2OC)CC1C.
What is the InChIKey of 1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine?
The InChIKey is KRINCXPZZACDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-4-5-10-23-17(18-19-20-23)22-12-11-21(13-14(22)2)15-8-6-7-9-16(15)24-3/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine?
1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine has a molecular weight of 330.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine is sourced from PubChem (CID 154929747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).