4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol

C16H24N6O2 — CID 7383157

IUPAC4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
SMILESCOCCn1nnnc1[C@H](c1ccc(O)cc1)N1CCN(C)CC1
InChIInChI=1S/C16H24N6O2/c1-20-7-9-21(10-8-20)15(13-3-5-14(23)6-4-13)16-17-18-19-22(16)11-12-24-2/h3-6,15,23H,7-12H2,1-2H3/t15-/m0/s1
InChIKeyYGCWAMFCPPVHLF-HNNXBMFYSA-N
MW332.41 g/mol
LogP0.36
Rot. Bonds6

About 4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol

4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol (PubChem CID 7383157) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
PubChem CID7383157
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
SMILESCOCCn1nnnc1[C@H](c1ccc(O)cc1)N1CCN(C)CC1
InChIInChI=1S/C16H24N6O2/c1-20-7-9-21(10-8-20)15(13-3-5-14(23)6-4-13)16-17-18-19-22(16)11-12-24-2/h3-6,15,23H,7-12H2,1-2H3/t15-/m0/s1
InChIKeyYGCWAMFCPPVHLF-HNNXBMFYSA-N
XLogP0.36
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685851
1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171667970
4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
CID 43811951
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3209274
1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 7391572
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 3209327
1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 3209334
1-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine
CID 7391596
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 3209284
1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 7388479
1-[(S)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448690
1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448688

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol (CID 7383157) is 4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol is COCCn1nnnc1[C@H](c1ccc(O)cc1)N1CCN(C)CC1.
What is the InChIKey of 4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol?
The InChIKey is YGCWAMFCPPVHLF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-20-7-9-21(10-8-20)15(13-3-5-14(23)6-4-13)16-17-18-19-22(16)11-12-24-2/h3-6,15,23H,7-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol?
4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol has a molecular weight of 332.41 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 7383157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).