3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol

C23H30N6O2 — CID 163911582

IUPAC3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
SMILESCCCCn1nnnc1C(c1cccc(O)c1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C23H30N6O2/c1-3-4-12-29-23(24-25-26-29)22(18-8-7-9-19(30)17-18)28-15-13-27(14-16-28)20-10-5-6-11-21(20)31-2/h5-11,17,22,30H,3-4,12-16H2,1-2H3
InChIKeyQSOKOCZMSPRLBK-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.10
Rot. Bonds8

About 3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol

3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol (PubChem CID 163911582) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
PubChem CID163911582
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
SMILESCCCCn1nnnc1C(c1cccc(O)c1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C23H30N6O2/c1-3-4-12-29-23(24-25-26-29)22(18-8-7-9-19(30)17-18)28-15-13-27(14-16-28)20-10-5-6-11-21(20)31-2/h5-11,17,22,30H,3-4,12-16H2,1-2H3
InChIKeyQSOKOCZMSPRLBK-UHFFFAOYSA-N
XLogP3.10
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol with MolForge

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Related Compounds

1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 7388443
1-(2-methoxyphenyl)-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3210274
1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
CID 51685935
1-(2-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 7388373
1-(2-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 7098170
1-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1446669
1-(2-fluorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 7098168
1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine
CID 154929747
3-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3187527
1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 3209185
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine;hydrochloride
CID 171668399
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazine
CID 3209273

Frequently Asked Questions

What is the IUPAC name of 3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol (CID 163911582) is 3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol is CCCCn1nnnc1C(c1cccc(O)c1)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol?
The InChIKey is QSOKOCZMSPRLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-3-4-12-29-23(24-25-26-29)22(18-8-7-9-19(30)17-18)28-15-13-27(14-16-28)20-10-5-6-11-21(20)31-2/h5-11,17,22,30H,3-4,12-16H2,1-2H3.
What are the key properties of 3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol?
3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol has a molecular weight of 422.53 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 163911582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).