1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine

C19H30N6O — CID 7388320

IUPAC1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine
SMILESCOCCn1nnnc1[C@H](CC(C)C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N6O/c1-16(2)15-18(19-20-21-22-25(19)13-14-26-3)24-11-9-23(10-12-24)17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3/t18-/m0/s1
InChIKeyWHDKLFODOGMKDK-SFHVURJKSA-N
MW358.49 g/mol
LogP2.23
Rot. Bonds8

About 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine

1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine (PubChem CID 7388320) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine
PubChem CID7388320
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine
SMILESCOCCn1nnnc1[C@H](CC(C)C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N6O/c1-16(2)15-18(19-20-21-22-25(19)13-14-26-3)24-11-9-23(10-12-24)17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3/t18-/m0/s1
InChIKeyWHDKLFODOGMKDK-SFHVURJKSA-N
XLogP2.23
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
4-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)phenyl)morpholine
CID 44159519
1-(3-Chloro-phenyl)-4-{3-methyl-1-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 644852
1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 646624
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-phenyl-piperazine
CID 647993
4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-pyrrolidin-1-yl-phenyl)-methyl]-morpholine
CID 648818
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
1-(3-Chloro-phenyl)-4-[1-(1-isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazine
CID 651221
1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-4-phenyl-piperazine
CID 653777

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine?
The IUPAC name of 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine (CID 7388320) is 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine is COCCn1nnnc1[C@H](CC(C)C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine?
The InChIKey is WHDKLFODOGMKDK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N6O/c1-16(2)15-18(19-20-21-22-25(19)13-14-26-3)24-11-9-23(10-12-24)17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3/t18-/m0/s1.
What are the key properties of 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine?
1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine has a molecular weight of 358.49 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine is sourced from PubChem (CID 7388320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).