1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine

C25H34N6O — CID 51625660

IUPAC1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCC[C@@H](c1nnnn1CCOC)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H34N6O/c1-3-10-23(25-26-27-28-31(25)19-20-32-2)29-15-17-30(18-16-29)24(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,23-24H,3,10,15-20H2,1-2H3/t23-/m0/s1
InChIKeyFYQYIVTVEOUKIP-QHCPKHFHSA-N
MW434.59 g/mol
LogP3.57
Rot. Bonds10

About 1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine

1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 51625660) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID51625660
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCC[C@@H](c1nnnn1CCOC)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H34N6O/c1-3-10-23(25-26-27-28-31(25)19-20-32-2)29-15-17-30(18-16-29)24(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,23-24H,3,10,15-20H2,1-2H3/t23-/m0/s1
InChIKeyFYQYIVTVEOUKIP-QHCPKHFHSA-N
XLogP3.57
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzhydryl-4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazine
CID 51625662
1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]-4-(4-methoxyphenyl)piperazine
CID 7388226
1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride
CID 53314022
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3209274
1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 51684897
1-(2-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 7388373
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazine
CID 3209273
1-(5-chloro-2-methylphenyl)-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
CID 7388179
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 3209327
1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
3-[(4-benzhydrylpiperazin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 3150077
1-benzyl-4-[(S)-(4-ethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 51625692

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine (CID 51625660) is 1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine is CCC[C@@H](c1nnnn1CCOC)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is FYQYIVTVEOUKIP-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H34N6O/c1-3-10-23(25-26-27-28-31(25)19-20-32-2)29-15-17-30(18-16-29)24(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,23-24H,3,10,15-20H2,1-2H3/t23-/m0/s1.
What are the key properties of 1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 434.59 g/mol, XLogP of 3.57, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 51625660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).